CID 6386349

329778-74-7

Structural Information

Molecular Formula
C18H21NOS
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CS2
InChI
InChI=1S/C18H21NOS/c1-14(2)12-16-7-5-15(6-8-16)9-10-18(20)19-13-17-4-3-11-21-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/b10-9+
InChIKey
ZPCVZBTWGPUNFI-MDZDMXLPSA-N
Compound name
(E)-3-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14168 174.1
[M+Na]+ 322.12362 179.5
[M-H]- 298.12712 180.5
[M+NH4]+ 317.16822 191.2
[M+K]+ 338.09756 174.3
[M+H-H2O]+ 282.13166 166.7
[M+HCOO]- 344.13260 192.4
[M+CH3COO]- 358.14825 204.3
[M+Na-2H]- 320.10907 172.0
[M]+ 299.13385 176.1
[M]- 299.13495 176.1
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.