CID 135484772

Nsc623720

Structural Information

Molecular Formula
C18H17ClN4O2
SMILES
CN=C1CN2C(C3=C(N1)C=CC(=C3)Cl)(N(C(=O)O2)C)C4=CC=CC=C4
InChI
InChI=1S/C18H17ClN4O2/c1-20-16-11-23-18(22(2)17(24)25-23,12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey
LVMMOOFHGDXCHR-UHFFFAOYSA-N
Compound name
10-chloro-1-methyl-6-methylimino-11b-phenyl-5,7-dihydro-[1,2,4]oxadiazolo[2,3-d][1,4]benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11128 184.5
[M+Na]+ 379.09322 195.1
[M-H]- 355.09672 191.0
[M+NH4]+ 374.13782 197.9
[M+K]+ 395.06716 192.2
[M+H-H2O]+ 339.10126 173.8
[M+HCOO]- 401.10220 195.7
[M+CH3COO]- 415.11785 194.3
[M+Na-2H]- 377.07867 187.7
[M]+ 356.10345 182.9
[M]- 356.10455 182.9
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.