CID 3062357

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

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCCOC1=CC2=C(C=C1)NC3=NCC(=O)N3CC2
InChI
InChI=1S/C14H17N3O2/c1-2-7-19-11-3-4-12-10(8-11)5-6-17-13(18)9-15-14(17)16-12/h3-4,8H,2,5-7,9H2,1H3,(H,15,16)
InChIKey
AOTUMRXVQTUKAE-UHFFFAOYSA-N
Compound name
8-propoxy-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

259.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 158.5
[M+Na]+ 282.12130 166.0
[M-H]- 258.12480 160.0
[M+NH4]+ 277.16590 173.8
[M+K]+ 298.09524 164.7
[M+H-H2O]+ 242.12934 150.0
[M+HCOO]- 304.13028 173.8
[M+CH3COO]- 318.14593 168.7
[M+Na-2H]- 280.10675 162.4
[M]+ 259.13153 155.6
[M]- 259.13263 155.6
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.