CID 3062355

3h-imidazo(2,1-b)(1,3)benzodiazepin-3-one, 1,2,5,6-tetrahydro-8-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C12H13N3O2
SMILES
COC1=CC2=C(C=C1)NC3=NCC(=O)N3CC2
InChI
InChI=1S/C12H13N3O2/c1-17-9-2-3-10-8(6-9)4-5-15-11(16)7-13-12(15)14-10/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKey
MUYSDCJMBFJVEB-UHFFFAOYSA-N
Compound name
8-methoxy-2,5,6,11-tetrahydroimidazo[2,1-b][1,3]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 149.7
[M+Na]+ 254.08999 158.1
[M-H]- 230.09349 151.6
[M+NH4]+ 249.13459 166.1
[M+K]+ 270.06393 157.2
[M+H-H2O]+ 214.09803 141.7
[M+HCOO]- 276.09897 165.7
[M+CH3COO]- 290.11462 160.9
[M+Na-2H]- 252.07544 154.7
[M]+ 231.10022 146.3
[M]- 231.10132 146.3
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.