CID 2873975

2-ethyl-1-[(3-hydroxypropyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCO
InChI
InChI=1S/C18H20N4O/c1-3-13-12(2)14(11-19)18-21-15-7-4-5-8-16(15)22(18)17(13)20-9-6-10-23/h4-5,7-8,20,23H,3,6,9-10H2,1-2H3
InChIKey
QSYBZUXLAJNHOQ-UHFFFAOYSA-N
Compound name
2-ethyl-1-(3-hydroxypropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.170976 175.6
[M+Na]+ 331.152918 187.5
[M-H]- 307.156424 176.3
[M+NH4]+ 326.197523 189.5
[M+K]+ 347.126858 179.2
[M+H-H2O]+ 291.160960 160.8
[M+HCOO]- 353.161901 192.1
[M+CH3COO]- 367.177551 184.8
[M+Na-2H]- 329.138366 178.9
[M]+ 308.16315142 174.1
[M]- 308.16424858 174.1
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.