CID 3072354

6h-dipyrido(3,2-d:2',3'-f)(1,3)diazepin-6-one, 5,7-dihydro-5-butyl-, monohydrochloride

Structural Information

Molecular Formula
C15H16N4O
SMILES
CCCCN1C2=C(C3=C(C=CC=N3)NC1=O)N=CC=C2
InChI
InChI=1S/C15H16N4O/c1-2-3-10-19-12-7-5-9-17-14(12)13-11(18-15(19)20)6-4-8-16-13/h4-9H,2-3,10H2,1H3,(H,18,20)
InChIKey
DNEGGLCNZYTOIV-UHFFFAOYSA-N
Compound name
8-butyl-3,8,10,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 162.0
[M+Na]+ 291.12164 174.5
[M+NH4]+ 286.16624 168.3
[M+K]+ 307.09558 168.5
[M-H]- 267.12514 162.5
[M+Na-2H]- 289.10709 167.1
[M]+ 268.13187 163.9
[M]- 268.13297 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.