CID 956317

477334-05-7

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C17H18ClNO/c1-12-3-6-14(7-4-12)17(20)9-10-19-15-8-5-13(2)16(18)11-15/h3-8,11,19H,9-10H2,1-2H3
InChIKey
YZFZTDYQRFKNPE-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1077 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.114976 166.5
[M+Na]+ 310.096918 174.6
[M-H]- 286.100424 173.2
[M+NH4]+ 305.141523 183.0
[M+K]+ 326.070858 168.5
[M+H-H2O]+ 270.104960 159.6
[M+HCOO]- 332.105901 185.7
[M+CH3COO]- 346.121551 205.1
[M+Na-2H]- 308.082366 169.4
[M]+ 287.10715142 169.5
[M]- 287.10824858 169.5
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.