CID 6913084

Revolade/promacta

Structural Information

Molecular Formula
C22H31Cl
SMILES
C1CCCC(CC1)C/C=C\C2=CC(=C(C=C2)C3CCCCC3)Cl
InChI
InChI=1S/C22H31Cl/c23-22-17-19(12-8-11-18-9-4-1-2-5-10-18)15-16-21(22)20-13-6-3-7-14-20/h8,12,15-18,20H,1-7,9-11,13-14H2/b12-8-
InChIKey
NDXQJQCGBAIFER-WQLSENKSSA-N
Compound name
[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

330.21143 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21871 183.1
[M+Na]+ 353.20065 183.9
[M-H]- 329.20415 190.3
[M+NH4]+ 348.24525 196.1
[M+K]+ 369.17459 180.6
[M+H-H2O]+ 313.20869 175.4
[M+HCOO]- 375.20963 193.0
[M+CH3COO]- 389.22528 190.5
[M+Na-2H]- 351.18610 180.8
[M]+ 330.21088 173.0
[M]- 330.21198 173.0
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.