CID 6918831

Cysmethynil

Structural Information

Molecular Formula
C25H32N2O
SMILES
CCCCCCCCN1C=C(C2=C1C=CC(=C2)C3=CC=CC(=C3)C)CC(=O)N
InChI
InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
InChIKey
QIXBOOVPFRZHQQ-UHFFFAOYSA-N
Compound name
2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

67
Patents

376.25146 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 198.1
[M+Na]+ 399.24068 204.7
[M-H]- 375.24418 203.6
[M+NH4]+ 394.28528 211.4
[M+K]+ 415.21462 197.5
[M+H-H2O]+ 359.24872 188.6
[M+HCOO]- 421.24966 219.0
[M+CH3COO]- 435.26531 225.6
[M+Na-2H]- 397.22613 196.8
[M]+ 376.25091 202.3
[M]- 376.25201 202.3
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