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]+ 269.139696 163.0
[M+Na]+ 291.121638 171.7
[M-H]- 267.125144 163.2
[M+NH4]+ 286.166243 175.0
[M+K]+ 307.095578 169.4
[M+H-H2O]+ 251.129680 153.0
[M+HCOO]- 313.130621 177.1
[M+CH3COO]- 327.146271 172.6
[M+Na-2H]- 289.107086 170.2
[M]+ 268.13187142 160.3
[M]- 268.13296858 160.3
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.