CID 3062988

6h-imidazo(1,5-a)(1,4)benzodiazepin-6-one, 4,5-dihydro-7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-

Structural Information

Molecular Formula
C15H12ClN5O2
SMILES
CC1=NOC(=N1)C2=C3CN(C(=O)C4=C(N3C=N2)C=CC=C4Cl)C
InChI
InChI=1S/C15H12ClN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3
InChIKey
VLIVRBPDKQJNTJ-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

329.06796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07524 174.8
[M+Na]+ 352.05718 189.7
[M-H]- 328.06068 180.7
[M+NH4]+ 347.10178 187.4
[M+K]+ 368.03112 187.2
[M+H-H2O]+ 312.06522 163.5
[M+HCOO]- 374.06616 187.9
[M+CH3COO]- 388.08181 186.4
[M+Na-2H]- 350.04263 176.4
[M]+ 329.06741 179.3
[M]- 329.06851 179.3
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