CID 2308898

4751-23-9

Structural Information

Molecular Formula
C19H20Cl2N3
SMILES
CCN1C2=CC(=C(C=C2[N+](=C1/C=C/NC3=CC=CC=C3)CC)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3/c1-3-23-17-12-15(20)16(21)13-18(17)24(4-2)19(23)10-11-22-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/p+1
InChIKey
CSJUPLAKKSKSQQ-UHFFFAOYSA-O
Compound name
N-[(E)-2-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

360.10342 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11070 188.3
[M+Na]+ 383.09264 199.3
[M-H]- 359.09614 192.8
[M+NH4]+ 378.13724 202.5
[M+K]+ 399.06658 184.8
[M+H-H2O]+ 343.10068 182.3
[M+HCOO]- 405.10162 200.8
[M+CH3COO]- 419.11727 209.7
[M+Na-2H]- 381.07809 192.1
[M]+ 360.10287 193.3
[M]- 360.10397 193.3
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

patents stripe