CID 2842503

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

Structural Information

Molecular Formula
C18H21NO
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H21NO/c1-4-14(3)15-9-11-17(12-10-15)19-18(20)16-7-5-13(2)6-8-16/h5-12,14H,4H2,1-3H3,(H,19,20)
InChIKey
ROZDQSIXQCKVAK-UHFFFAOYSA-N
Compound name
N-(4-butan-2-ylphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.16232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 164.7
[M+Na]+ 290.151538 170.4
[M-H]- 266.155044 171.2
[M+NH4]+ 285.196143 180.9
[M+K]+ 306.125478 166.5
[M+H-H2O]+ 250.159580 156.9
[M+HCOO]- 312.160521 187.2
[M+CH3COO]- 326.176171 203.4
[M+Na-2H]- 288.136986 167.1
[M]+ 267.16177142 164.7
[M]- 267.16286858 164.7
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.