CID 392284

Nsc692418

Structural Information

Molecular Formula
C17H21N4O
SMILES
CCN(CC)C(=O)C[N+]1=C2C=CC(=CN2C3=CC=CC=C31)N
InChI
InChI=1S/C17H21N4O/c1-3-19(4-2)17(22)12-21-15-8-6-5-7-14(15)20-11-13(18)9-10-16(20)21/h5-11H,3-4,12,18H2,1-2H3/q+1
InChIKey
IUVCKGZNCWTTIE-UHFFFAOYSA-N
Compound name
2-(2-aminopyrido[1,2-a]benzimidazol-5-ium-5-yl)-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17154 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17882 171.0
[M+Na]+ 320.16076 179.2
[M-H]- 296.16426 175.5
[M+NH4]+ 315.20536 187.3
[M+K]+ 336.13470 169.6
[M+H-H2O]+ 280.16880 164.9
[M+HCOO]- 342.16974 193.0
[M+CH3COO]- 356.18539 205.8
[M+Na-2H]- 318.14621 178.0
[M]+ 297.17099 173.2
[M]- 297.17209 173.2
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.