CID 453248

16287-49-3

Structural Information

Molecular Formula
C15H13N3O
SMILES
C=CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C15H13N3O/c1-2-10-18-13-8-4-3-7-12(13)17-14-11(15(18)19)6-5-9-16-14/h2-9H,1,10H2,(H,16,17)
InChIKey
DJUGTRHSWGHYPG-UHFFFAOYSA-N
Compound name
6-prop-2-enyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.9
[M+Na]+ 274.09509 165.7
[M-H]- 250.09859 158.5
[M+NH4]+ 269.13969 170.9
[M+K]+ 290.06903 163.2
[M+H-H2O]+ 234.10313 148.5
[M+HCOO]- 296.10407 172.6
[M+CH3COO]- 310.11972 167.4
[M+Na-2H]- 272.08054 164.2
[M]+ 251.10532 153.1
[M]- 251.10642 153.1
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.