CID 44368442

Jwh 011

Structural Information

Molecular Formula
C27H29NO
SMILES
CCCCCC(C)N1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C27H29NO/c1-4-5-6-12-19(2)28-20(3)26(24-16-9-10-18-25(24)28)27(29)23-17-11-14-21-13-7-8-15-22(21)23/h7-11,13-19H,4-6,12H2,1-3H3
InChIKey
HVIWIQFCDXFBDK-UHFFFAOYSA-N
Compound name
(1-heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.2249 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.232176 199.7
[M+Na]+ 406.214118 207.1
[M-H]- 382.217624 206.6
[M+NH4]+ 401.258723 213.8
[M+K]+ 422.188058 199.7
[M+H-H2O]+ 366.222160 190.1
[M+HCOO]- 428.223101 218.0
[M+CH3COO]- 442.238751 209.2
[M+Na-2H]- 404.199566 199.2
[M]+ 383.22435142 204.0
[M]- 383.22544858 204.0
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

patents stripe