CID 135854440

89547-41-1

Structural Information

Molecular Formula
C23H32N4O2
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCCCC4)O
InChI
InChI=1S/C23H32N4O2/c28-21(14-13-18-9-3-1-4-10-18)24-25-22-19-11-5-6-12-20(19)27(23(22)29)17-26-15-7-2-8-16-26/h5-6,11-12,18,29H,1-4,7-10,13-17H2
InChIKey
NHYGRXUXRGEBCI-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25253 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 195.5
[M+Na]+ 419.24175 196.9
[M-H]- 395.24525 202.6
[M+NH4]+ 414.28635 205.7
[M+K]+ 435.21569 191.9
[M+H-H2O]+ 379.24979 183.7
[M+HCOO]- 441.25073 212.0
[M+CH3COO]- 455.26638 202.6
[M+Na-2H]- 417.22720 195.0
[M]+ 396.25198 190.6
[M]- 396.25308 190.6
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.