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]+ 270.16008 160.3
[M+Na]+ 292.14202 164.8
[M-H]- 268.14552 165.7
[M+NH4]+ 287.18662 176.9
[M+K]+ 308.11596 159.9
[M+H-H2O]+ 252.15006 151.6
[M+HCOO]- 314.15100 182.1
[M+CH3COO]- 328.16665 170.9
[M+Na-2H]- 290.12747 165.0
[M]+ 269.15225 155.6
[M]- 269.15335 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.