CID 4201088

Alpha-(3-chloro-para-toluidino)-para-acetotoluidide

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C16H17ClN2O/c1-11-3-6-15(9-16(11)17)18-10-13-4-7-14(8-5-13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKey
PRMXPVBNYLVOEH-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.10294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 166.9
[M+Na]+ 311.09216 174.6
[M-H]- 287.09566 173.8
[M+NH4]+ 306.13676 183.1
[M+K]+ 327.06610 168.8
[M+H-H2O]+ 271.10020 159.9
[M+HCOO]- 333.10114 187.6
[M+CH3COO]- 347.11679 206.5
[M+Na-2H]- 309.07761 170.7
[M]+ 288.10239 168.8
[M]- 288.10349 168.8
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.