CID 5941539

Su1498

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)NCCCC2=CC=CC=C2
InChI
InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+
InChIKey
JANPYFTYAGTSIN-FYJGNVAPSA-N
Compound name
(E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

60
References

169
Patents

390.23074 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 205.3
[M+Na]+ 413.21996 210.6
[M-H]- 389.22346 208.4
[M+NH4]+ 408.26456 214.2
[M+K]+ 429.19390 204.1
[M+H-H2O]+ 373.22800 190.4
[M+HCOO]- 435.22894 218.9
[M+CH3COO]- 449.24459 234.2
[M+Na-2H]- 411.20541 200.0
[M]+ 390.23019 200.0
[M]- 390.23129 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe