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]+ 288.11498 166.5
[M+Na]+ 310.09692 174.6
[M-H]- 286.10042 173.2
[M+NH4]+ 305.14152 183.0
[M+K]+ 326.07086 168.5
[M+H-H2O]+ 270.10496 159.6
[M+HCOO]- 332.10590 185.7
[M+CH3COO]- 346.12155 205.1
[M+Na-2H]- 308.08237 169.4
[M]+ 287.10715 169.5
[M]- 287.10825 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.