CID 6447078

Brn 0409118

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CCC(CC1)NC(=O)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H20N2O/c20-17(19-14-6-2-1-3-7-14)11-10-13-12-18-16-9-5-4-8-15(13)16/h4-5,8-12,14,18H,1-3,6-7H2,(H,19,20)/b11-10+
InChIKey
IBRAIAXIRTVSCS-ZHACJKMWSA-N
Compound name
(E)-N-cyclohexyl-3-(1H-indol-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 162.7
[M+Na]+ 291.14678 167.2
[M-H]- 267.15028 166.6
[M+NH4]+ 286.19138 179.1
[M+K]+ 307.12072 161.2
[M+H-H2O]+ 251.15482 154.5
[M+HCOO]- 313.15576 181.7
[M+CH3COO]- 327.17141 172.7
[M+Na-2H]- 289.13223 165.7
[M]+ 268.15701 157.1
[M]- 268.15811 157.1
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.