CID 4496

Nimetazepam

Structural Information

Molecular Formula
C16H13N3O3
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
GWUSZQUVEVMBPI-UHFFFAOYSA-N
Compound name
1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

41
References

7171
Patents

295.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 169.6
[M+Na]+ 318.08492 183.5
[M+NH4]+ 313.12952 176.3
[M+K]+ 334.05886 179.7
[M-H]- 294.08842 174.1
[M+Na-2H]- 316.07037 176.7
[M]+ 295.09515 172.8
[M]- 295.09625 172.8
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