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
3
Annotation Hits

3
References

96
Patents

325.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.113536 175.8
[M+Na]+ 348.095478 182.0
[M-H]- 324.098984 182.3
[M+NH4]+ 343.140083 186.5
[M+K]+ 364.069418 179.2
[M+H-H2O]+ 308.103520 170.7
[M+HCOO]- 370.104461 195.6
[M+CH3COO]- 384.120111 204.2
[M+Na-2H]- 346.080926 182.5
[M]+ 325.10571142 173.4
[M]- 325.10680858 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

literature stripe

Patent stripe

patents stripe