CID 2842569

N-[4-(butan-2-yl)phenyl]-4-chlorobenzamide

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO/c1-3-12(2)13-6-10-16(11-7-13)19-17(20)14-4-8-15(18)9-5-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKey
ZRVOEUULKIVHPC-UHFFFAOYSA-N
Compound name
N-(4-butan-2-ylphenyl)-4-chlorobenzamide
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 166.8
[M+Na]+ 310.096918 173.8
[M-H]- 286.100424 173.3
[M+NH4]+ 305.141523 183.1
[M+K]+ 326.070858 168.2
[M+H-H2O]+ 270.104960 159.9
[M+HCOO]- 332.105901 185.1
[M+CH3COO]- 346.121551 204.1
[M+Na-2H]- 308.082366 169.3
[M]+ 287.10715142 168.8
[M]- 287.10824858 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.