CID 57404059

Sts-135

Structural Information

Molecular Formula
C24H31FN2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF
InChI
InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

38
Patents

382.24203 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24931 187.7
[M+Na]+ 405.23125 188.5
[M-H]- 381.23475 183.6
[M+NH4]+ 400.27585 206.9
[M+K]+ 421.20519 181.6
[M+H-H2O]+ 365.23929 176.6
[M+HCOO]- 427.24023 192.1
[M+CH3COO]- 441.25588 192.7
[M+Na-2H]- 403.21670 193.0
[M]+ 382.24148 188.4
[M]- 382.24258 188.4
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