CID 44397500

Jwh-203

Structural Information

Molecular Formula
C21H22ClNO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Cl
InChI
InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
InChIKey
YDINKDBAZJOSLV-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

19
Patents

339.13898 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14626 183.0
[M+Na]+ 362.12820 192.4
[M-H]- 338.13170 189.2
[M+NH4]+ 357.17280 199.1
[M+K]+ 378.10214 184.6
[M+H-H2O]+ 322.13624 174.8
[M+HCOO]- 384.13718 200.3
[M+CH3COO]- 398.15283 211.8
[M+Na-2H]- 360.11365 184.4
[M]+ 339.13843 189.4
[M]- 339.13953 189.4
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