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]+ 363.20671 188.8
[M+Na]+ 385.18865 188.8
[M-H]- 361.19215 196.3
[M+NH4]+ 380.23325 199.1
[M+K]+ 401.16259 183.9
[M+H-H2O]+ 345.19669 178.8
[M+HCOO]- 407.19763 207.1
[M+CH3COO]- 421.21328 219.5
[M+Na-2H]- 383.17410 188.3
[M]+ 362.19888 181.6
[M]- 362.19998 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.