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
1
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 167.3
[M+Na]+ 311.09216 181.5
[M+NH4]+ 306.13676 175.9
[M+K]+ 327.06610 172.9
[M-H]- 287.09566 173.1
[M+Na-2H]- 309.07761 176.2
[M]+ 288.10239 171.3
[M]- 288.10349 171.3
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

No patent data available for this compound.