PubChemLite - Nsc369312 (C30H48N4)

Structural Information

Molecular Formula

SMILES

C1CCN2CC3CC(C2C1)CN4C3CCC(=C4)C5CCCC6N5CC7CC6CN8C7CCCC8

InChI

InChI=1S/C30H48N4/c1-3-12-31-17-22-14-23(26(31)6-1)19-33-16-21(10-11-28(22)33)29-8-5-9-30-24-15-25(20-34(29)30)27-7-2-4-13-32(27)18-24/h16,22-30H,1-15,17-20H2

InChIKey

NWNZQMKMFKXORB-UHFFFAOYSA-N

Compound name

5-(7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-yl)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-ene

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]+	465.39518	207.9
[M+Na]+	487.37712	201.9
[M-H]-	463.38062	203.1
[M+NH4]+	482.42172	213.9
[M+K]+	503.35106	192.2
[M+H-H2O]+	447.38516	188.6
[M+HCOO]-	509.38610	193.5
[M+CH3COO]-	523.40175	205.5
[M+Na-2H]-	485.36257	202.0
[M]+	464.38735	186.3
[M]-	464.38845	186.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.39518

207.9

[M+Na]+

487.37712

201.9

[M-H]-

463.38062

203.1

[M+NH4]+

482.42172

213.9

[M+K]+

503.35106

192.2

[M+H-H2O]+

447.38516

188.6

[M+HCOO]-

509.38610

193.5

[M+CH3COO]-

523.40175

205.5

[M+Na-2H]-

485.36257

202.0

[M]+

464.38735

186.3

[M]-

464.38845

186.3

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

Nsc369312

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe