PubChemLite - 102409-92-7 (C19H21N3O8)

Structural Information

Molecular Formula

SMILES

CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC)C=O)N(C2)O3)COC(=O)N)OC(=O)C

InChI

InChI=1S/C19H21N3O8/c1-9(24)22-14-6-21-13-4-11(7-23)5-15(27-3)16(13)12(8-28-18(20)26)19(30-21,17(14)22)29-10(2)25/h4-5,7,12,14,17H,6,8H2,1-3H3,(H2,20,26)

InChIKey

BUZDGGFWWPZBIN-UHFFFAOYSA-N

Compound name

[11-acetyl-8-(carbamoyloxymethyl)-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-9-yl] acetate

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]+	420.14015	203.0
[M+Na]+	442.12209	212.0
[M-H]-	418.12559	205.1
[M+NH4]+	437.16669	209.5
[M+K]+	458.09603	209.8
[M+H-H2O]+	402.13013	195.9
[M+HCOO]-	464.13107	211.8
[M+CH3COO]-	478.14672	233.2
[M+Na-2H]-	440.10754	205.2
[M]+	419.13232	213.2
[M]-	419.13342	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.14015

203.0

[M+Na]+

442.12209

212.0

[M-H]-

418.12559

205.1

[M+NH4]+

437.16669

209.5

[M+K]+

458.09603

209.8

[M+H-H2O]+

402.13013

195.9

[M+HCOO]-

464.13107

211.8

[M+CH3COO]-

478.14672

233.2

[M+Na-2H]-

440.10754

205.2

[M]+

419.13232

213.2

[M]-

419.13342

213.2

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

102409-92-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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