PubChemLite - Anhydro-trityl-t (C29H26N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CN2[C@H]3C([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)OC2=NC1=O

InChI

InChI=1S/C29H26N2O5/c1-19-17-31-27-25(36-28(31)30-26(19)33)24(32)23(35-27)18-34-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23-25,27,32H,18H2,1H3/t23-,24-,25?,27-/m1/s1

InChIKey

HUKPMMVMWXGYKY-OVHROIHKSA-N

Compound name

(2R,4R,5R)-5-hydroxy-11-methyl-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.19145	213.3
[M+Na]+	505.17339	219.8
[M-H]-	481.17689	225.6
[M+NH4]+	500.21799	219.2
[M+K]+	521.14733	216.3
[M+H-H2O]+	465.18143	203.5
[M+HCOO]-	527.18237	226.1
[M+CH3COO]-	541.19802	221.3
[M+Na-2H]-	503.15884	213.4
[M]+	482.18362	216.2
[M]-	482.18472	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.19145

213.3

[M+Na]+

505.17339

219.8

[M-H]-

481.17689

225.6

[M+NH4]+

500.21799

219.2

[M+K]+

521.14733

216.3

[M+H-H2O]+

465.18143

203.5

[M+HCOO]-

527.18237

226.1

[M+CH3COO]-

541.19802

221.3

[M+Na-2H]-

503.15884

213.4

[M]+

482.18362

216.2

[M]-

482.18472

216.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Anhydro-trityl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe