CID 37945

M-hexyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCC3
InChI
InChI=1S/C23H36N2O3/c1-2-3-4-9-17-27-20-12-10-11-19(18-20)24-23(26)28-22-14-6-5-13-21(22)25-15-7-8-16-25/h10-12,18,21-22H,2-9,13-17H2,1H3,(H,24,26)/t21-,22-/m0/s1
InChIKey
NZUAYQUMFGWGSB-VXKWHMMOSA-N
Compound name
[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl] N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 198.0
[M+Na]+ 411.26180 197.2
[M-H]- 387.26530 203.6
[M+NH4]+ 406.30640 208.5
[M+K]+ 427.23574 193.4
[M+H-H2O]+ 371.26984 187.4
[M+HCOO]- 433.27078 213.6
[M+CH3COO]- 447.28643 221.1
[M+Na-2H]- 409.24725 194.1
[M]+ 388.27203 194.4
[M]- 388.27313 194.4
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.