CID 3292778

Alpha-(4-chloro-o-tolylimino)-n,n-dimethyl-p-toluidine

Structural Information

Molecular Formula
C16H17ClN2
SMILES
CC1=C(C=CC(=C1)Cl)N=CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H17ClN2/c1-12-10-14(17)6-9-16(12)18-11-13-4-7-15(8-5-13)19(2)3/h4-11H,1-3H3
InChIKey
VOMIFQABAXADCU-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11531 163.6
[M+Na]+ 295.09725 172.3
[M-H]- 271.10075 173.2
[M+NH4]+ 290.14185 182.0
[M+K]+ 311.07119 167.6
[M+H-H2O]+ 255.10529 156.0
[M+HCOO]- 317.10623 187.0
[M+CH3COO]- 331.12188 209.4
[M+Na-2H]- 293.08270 168.2
[M]+ 272.10748 167.8
[M]- 272.10858 167.8
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.