CID 468254

5,10-dihydro-11h-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1C2=CC=CC=C2NC(=O)C3=CC=CN31
InChI
InChI=1S/C12H10N2O/c15-12-11-6-3-7-14(11)8-9-4-1-2-5-10(9)13-12/h1-7H,8H2,(H,13,15)
InChIKey
QHDPZPSOHTWKAU-UHFFFAOYSA-N
Compound name
5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

198.07932 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe