CID 453286

133626-78-5

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CCN1C2=C(C=C(C=C2)C(=O)N)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H16N4O2/c1-3-20-12-7-6-10(14(17)21)9-13(12)19(2)16(22)11-5-4-8-18-15(11)20/h4-9H,3H2,1-2H3,(H2,17,21)
InChIKey
OFUYHTFYKOZVFM-UHFFFAOYSA-N
Compound name
11-ethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepine-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.12732 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 169.0
[M+Na]+ 319.11654 178.3
[M-H]- 295.12004 172.2
[M+NH4]+ 314.16114 181.8
[M+K]+ 335.09048 178.1
[M+H-H2O]+ 279.12458 160.1
[M+HCOO]- 341.12552 185.4
[M+CH3COO]- 355.14117 179.4
[M+Na-2H]- 317.10199 173.4
[M]+ 296.12677 167.4
[M]- 296.12787 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.