CID 453298

133626-87-6

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)CC=C
InChI
InChI=1S/C17H15N3O2/c1-3-11-19-14-8-4-5-9-15(14)20(12(2)21)16-13(17(19)22)7-6-10-18-16/h3-10H,1,11H2,2H3
InChIKey
LKAHXQMVRCEGNA-UHFFFAOYSA-N
Compound name
11-acetyl-6-prop-2-enylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 166.7
[M+Na]+ 316.10564 175.9
[M-H]- 292.10914 169.9
[M+NH4]+ 311.15024 179.9
[M+K]+ 332.07958 174.6
[M+H-H2O]+ 276.11368 158.0
[M+HCOO]- 338.11462 182.6
[M+CH3COO]- 352.13027 177.2
[M+Na-2H]- 314.09109 171.8
[M]+ 293.11587 165.7
[M]- 293.11697 165.7
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.