CID 392526

Nsc693042

Structural Information

Molecular Formula
C17H13N3O
SMILES
CC(=O)NC1=CC2=C(C=C1)N3C=CC4=CC=CC=C4C3=N2
InChI
InChI=1S/C17H13N3O/c1-11(21)18-13-6-7-16-15(10-13)19-17-14-5-3-2-4-12(14)8-9-20(16)17/h2-10H,1H3,(H,18,21)
InChIKey
QWXPJFYLVPIYDS-UHFFFAOYSA-N
Compound name
N-(benzimidazolo[2,1-a]isoquinolin-10-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 160.8
[M+Na]+ 298.09509 172.5
[M-H]- 274.09859 165.8
[M+NH4]+ 293.13969 179.1
[M+K]+ 314.06903 166.3
[M+H-H2O]+ 258.10313 152.3
[M+HCOO]- 320.10407 183.3
[M+CH3COO]- 334.11972 173.6
[M+Na-2H]- 296.08054 170.2
[M]+ 275.10532 164.9
[M]- 275.10642 164.9
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.