CID 6434373

Brn 2144340

Structural Information

Molecular Formula
C17H22ClNO2
SMILES
C1CCC(CC1)N(CCO)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H22ClNO2/c18-15-9-6-14(7-10-15)8-11-17(21)19(12-13-20)16-4-2-1-3-5-16/h6-11,16,20H,1-5,12-13H2/b11-8+
InChIKey
YZHHISJCWBRIJW-DHZHZOJOSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1339 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14118 173.4
[M+Na]+ 330.12312 176.5
[M-H]- 306.12662 178.3
[M+NH4]+ 325.16772 188.1
[M+K]+ 346.09706 171.5
[M+H-H2O]+ 290.13116 166.1
[M+HCOO]- 352.13210 187.8
[M+CH3COO]- 366.14775 204.6
[M+Na-2H]- 328.10857 173.5
[M]+ 307.13335 171.2
[M]- 307.13445 171.2
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.