CID 7262053

297145-98-3

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3CCCCC3
InChI
InChI=1S/C23H26N2O2/c1-17-12-14-19(15-13-17)22(26)25-21(16-18-8-4-2-5-9-18)23(27)24-20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20H,3,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/b21-16-
InChIKey
BABMNLOOZAYTFM-PGMHBOJBSA-N
Compound name
N-[(Z)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 188.8
[M+Na]+ 385.188648 188.8
[M-H]- 361.192154 196.3
[M+NH4]+ 380.233253 199.1
[M+K]+ 401.162588 183.9
[M+H-H2O]+ 345.196690 178.8
[M+HCOO]- 407.197631 207.1
[M+CH3COO]- 421.213281 219.5
[M+Na-2H]- 383.174096 188.3
[M]+ 362.19888142 181.6
[M]- 362.19997858 181.6
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.