CID 45051016

N-(4-butylphenyl)-3-(4-phenyl-2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C23H23NOS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C23H23NOS/c1-2-3-7-18-10-12-21(13-11-18)24-23(25)15-14-22-16-20(17-26-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3,(H,24,25)/b15-14+
InChIKey
CMYNTFZMEYDLHS-CCEZHUSRSA-N
Compound name
(E)-N-(4-butylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15002 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15730 189.6
[M+Na]+ 384.13924 195.6
[M-H]- 360.14274 199.1
[M+NH4]+ 379.18384 204.1
[M+K]+ 400.11318 188.1
[M+H-H2O]+ 344.14728 181.1
[M+HCOO]- 406.14822 208.8
[M+CH3COO]- 420.16387 215.3
[M+Na-2H]- 382.12469 188.0
[M]+ 361.14947 191.8
[M]- 361.15057 191.8
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.