CID 3432606

882748-26-7

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CCC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H22ClNO/c1-3-14(2)15-6-10-18(11-7-15)21-13-12-19(22)16-4-8-17(20)9-5-16/h4-11,14,21H,3,12-13H2,1-2H3
InChIKey
ZNELYFACEQZSJZ-UHFFFAOYSA-N
Compound name
3-(4-butan-2-ylanilino)-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 175.9
[M+Na]+ 338.12820 181.9
[M-H]- 314.13170 181.9
[M+NH4]+ 333.17280 190.9
[M+K]+ 354.10214 175.8
[M+H-H2O]+ 298.13624 168.5
[M+HCOO]- 360.13718 193.5
[M+CH3COO]- 374.15283 210.7
[M+Na-2H]- 336.11365 177.2
[M]+ 315.13843 178.6
[M]- 315.13953 178.6
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.