CID 15547048

10,11-dihydro-5h-benzo[e]pyrrolo[1,2-a][1,4]diazepine

Structural Information

Molecular Formula
C12H12N2
SMILES
C1C2=CC=CN2CC3=CC=CC=C3N1
InChI
InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-7,13H,8-9H2
InChIKey
POAQFKSUTQWHMZ-UHFFFAOYSA-N
Compound name
6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

184.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 137.9
[M+Na]+ 207.089268 145.5
[M-H]- 183.092774 140.8
[M+NH4]+ 202.133873 157.1
[M+K]+ 223.063208 143.6
[M+H-H2O]+ 167.097310 131.4
[M+HCOO]- 229.098251 156.1
[M+CH3COO]- 243.113901 150.0
[M+Na-2H]- 205.074716 145.3
[M]+ 184.09950142 132.6
[M]- 184.10059858 132.6
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