CID 466086

4-[2-[1-(diethylaminomethyl)benzimidazol-2-yl]vinyl]-n,n-dimethyl-aniline

Structural Information

Molecular Formula
C22H28N4
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C22H28N4/c1-5-25(6-2)17-26-21-10-8-7-9-20(21)23-22(26)16-13-18-11-14-19(15-12-18)24(3)4/h7-16H,5-6,17H2,1-4H3
InChIKey
WUTJSIVIVUSGKO-UHFFFAOYSA-N
Compound name
4-[2-[1-(diethylaminomethyl)benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23138 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23866 188.8
[M+Na]+ 371.22060 195.7
[M-H]- 347.22410 196.4
[M+NH4]+ 366.26520 203.0
[M+K]+ 387.19454 190.9
[M+H-H2O]+ 331.22864 178.0
[M+HCOO]- 393.22958 213.0
[M+CH3COO]- 407.24523 226.8
[M+Na-2H]- 369.20605 191.2
[M]+ 348.23083 194.1
[M]- 348.23193 194.1
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.