CID 777037

1-(4-ethylanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C21H18N4
SMILES
CCC1=CC=C(C=C1)NC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C
InChI
InChI=1S/C21H18N4/c1-3-15-8-10-16(11-9-15)23-20-12-14(2)17(13-22)21-24-18-6-4-5-7-19(18)25(20)21/h4-12,23H,3H2,1-2H3
InChIKey
QZCYIIDYNRFSGD-UHFFFAOYSA-N
Compound name
1-(4-ethylanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.15314 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16042 183.9
[M+Na]+ 349.14236 199.8
[M+NH4]+ 344.18696 189.3
[M+K]+ 365.11630 188.3
[M-H]- 325.14586 182.0
[M+Na-2H]- 347.12781 189.1
[M]+ 326.15259 185.0
[M]- 326.15369 185.0
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.