CID 65764

Motrazepam

Structural Information

Molecular Formula
C17H15N3O4
SMILES
COCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O4/c1-24-11-19-15-8-7-13(20(22)23)9-14(15)17(18-10-16(19)21)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey
CWCAUFWLFIUQHP-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

325.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 175.8
[M+Na]+ 348.09548 182.0
[M-H]- 324.09898 182.3
[M+NH4]+ 343.14008 186.5
[M+K]+ 364.06942 179.2
[M+H-H2O]+ 308.10352 170.7
[M+HCOO]- 370.10446 195.6
[M+CH3COO]- 384.12011 204.2
[M+Na-2H]- 346.08093 182.5
[M]+ 325.10571 173.4
[M]- 325.10681 173.4
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.