CID 189875

Menitrazepam

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CCCCC3
InChI
InChI=1S/C16H17N3O3/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/h5,7-9H,2-4,6,10H2,1H3
InChIKey
CMFUDRPCXZQTOM-UHFFFAOYSA-N
Compound name
5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

299.12698 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 169.8
[M+Na]+ 322.11620 174.8
[M-H]- 298.11970 175.6
[M+NH4]+ 317.16080 181.5
[M+K]+ 338.09014 171.6
[M+H-H2O]+ 282.12424 165.0
[M+HCOO]- 344.12518 187.1
[M+CH3COO]- 358.14083 200.1
[M+Na-2H]- 320.10165 175.0
[M]+ 299.12643 163.2
[M]- 299.12753 163.2
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.