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 196.7
[M-H]- 325.14586 188.0
[M+NH4]+ 344.18696 197.1
[M+K]+ 365.11630 186.0
[M+H-H2O]+ 309.15040 167.5
[M+HCOO]- 371.15134 201.5
[M+CH3COO]- 385.16699 193.1
[M+Na-2H]- 347.12781 187.6
[M]+ 326.15259 181.1
[M]- 326.15369 181.1
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.