CID 5473579

Nsc13107

Structural Information

Molecular Formula
C26H28N3
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3N2C4=CC=CC=C4)C
InChI
InChI=1S/C26H28N3/c1-4-28(5-2)22-18-15-21(16-19-22)17-20-26-27(3)24-13-9-10-14-25(24)29(26)23-11-7-6-8-12-23/h6-20H,4-5H2,1-3H3/q+1
InChIKey
BLUSELMMRWDVJS-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(E)-2-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22833 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23561 201.8
[M+Na]+ 405.21755 209.3
[M-H]- 381.22105 211.4
[M+NH4]+ 400.26215 213.5
[M+K]+ 421.19149 196.1
[M+H-H2O]+ 365.22559 192.6
[M+HCOO]- 427.22653 223.6
[M+CH3COO]- 441.24218 220.7
[M+Na-2H]- 403.20300 205.6
[M]+ 382.22778 204.0
[M]- 382.22888 204.0
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.