CID 454205

5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-6-one

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1C(=O)NC2=CC=CC=C2C3=CC=CN31
InChI
InChI=1S/C12H10N2O/c15-12-8-14-7-3-6-11(14)9-4-1-2-5-10(9)13-12/h1-7H,8H2,(H,13,15)
InChIKey
ORZOUTCISHAGJL-UHFFFAOYSA-N
Compound name
5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 140.6
[M+Na]+ 221.06854 149.3
[M-H]- 197.07204 144.0
[M+NH4]+ 216.11314 159.5
[M+K]+ 237.04248 147.6
[M+H-H2O]+ 181.07658 134.3
[M+HCOO]- 243.07752 159.2
[M+CH3COO]- 257.09317 153.0
[M+Na-2H]- 219.05399 147.4
[M]+ 198.07877 136.4
[M]- 198.07987 136.4
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.