CID 27269

15419-87-1

Structural Information

Molecular Formula
C23H28N4O
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)C#N)N=C1CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C23H28N4O/c1-4-26(5-2)13-14-27-22-12-9-19(17-24)15-21(22)25-23(27)16-18-7-10-20(11-8-18)28-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3
InChIKey
SMNJGNKSTXLJSY-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22632 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 194.0
[M+Na]+ 399.21554 203.4
[M-H]- 375.21904 197.7
[M+NH4]+ 394.26014 204.9
[M+K]+ 415.18948 196.0
[M+H-H2O]+ 359.22358 176.6
[M+HCOO]- 421.22452 212.0
[M+CH3COO]- 435.24017 234.6
[M+Na-2H]- 397.20099 194.6
[M]+ 376.22577 194.9
[M]- 376.22687 194.9
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.