CID 23275339

7-amino nimetazepam

Structural Information

Molecular Formula
C16H15N3O
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10,17H2,1H3
InChIKey
OALPQSAJOMDTDB-UHFFFAOYSA-N
Compound name
7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

265.12152 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.9
[M+Na]+ 288.11074 170.2
[M-H]- 264.11424 168.1
[M+NH4]+ 283.15534 175.8
[M+K]+ 304.08468 169.6
[M+H-H2O]+ 248.11878 153.4
[M+HCOO]- 310.11972 181.6
[M+CH3COO]- 324.13537 173.1
[M+Na-2H]- 286.09619 167.2
[M]+ 265.12097 157.8
[M]- 265.12207 157.8
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