CID 135688261

113143-67-2

Structural Information

Molecular Formula
C16H19N3O
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H19N3O/c20-16(12-6-2-1-3-7-12)19-18-11-13-10-17-15-9-5-4-8-14(13)15/h4-5,8-12,17H,1-3,6-7H2,(H,19,20)/b18-11+
InChIKey
XOKKHYVEXREYIY-WOJGMQOQSA-N
Compound name
N-[(E)-1H-indol-3-ylmethylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 160.3
[M+Na]+ 292.142018 164.8
[M-H]- 268.145524 165.7
[M+NH4]+ 287.186623 176.9
[M+K]+ 308.115958 159.9
[M+H-H2O]+ 252.150060 151.6
[M+HCOO]- 314.151001 182.1
[M+CH3COO]- 328.166651 170.9
[M+Na-2H]- 290.127466 165.0
[M]+ 269.15225142 155.6
[M]- 269.15334858 155.6
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.