CID 3007439

Chembl26210

Structural Information

Molecular Formula
C18H16ClN3
SMILES
C=C(C1=CC=CC=C1NCC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C18H16ClN3/c1-14(22-11-10-20-13-22)17-4-2-3-5-18(17)21-12-15-6-8-16(19)9-7-15/h2-11,13,21H,1,12H2
InChIKey
MEMRARIQLSYOCM-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11055 172.6
[M+Na]+ 332.09249 180.4
[M-H]- 308.09599 179.4
[M+NH4]+ 327.13709 186.4
[M+K]+ 348.06643 172.7
[M+H-H2O]+ 292.10053 162.6
[M+HCOO]- 354.10147 190.5
[M+CH3COO]- 368.11712 183.3
[M+Na-2H]- 330.07794 175.4
[M]+ 309.10272 173.2
[M]- 309.10382 173.2
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.