CID 201327

5814-41-5

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h1-8,14H,(H,15,16)
InChIKey
KVVFXAAMMFTLGN-UHFFFAOYSA-N
Compound name
5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

404
Patents

210.07932 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 143.7
[M+Na]+ 233.068538 151.7
[M-H]- 209.072044 145.5
[M+NH4]+ 228.113143 159.8
[M+K]+ 249.042478 149.7
[M+H-H2O]+ 193.076580 137.4
[M+HCOO]- 255.077521 159.9
[M+CH3COO]- 269.093171 154.9
[M+Na-2H]- 231.053986 152.5
[M]+ 210.07877142 137.5
[M]- 210.07986858 137.5
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

patents stripe