CID 37957

Carbanilic acid, p-propoxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (e)-

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCC[C@H]2N(CC)CC
InChI
InChI=1S/C20H32N2O3/c1-4-15-24-17-13-11-16(12-14-17)21-20(23)25-19-10-8-7-9-18(19)22(5-2)6-3/h11-14,18-19H,4-10,15H2,1-3H3,(H,21,23)/t18-,19-/m1/s1
InChIKey
JBIJXZRYWZNZRB-RTBURBONSA-N
Compound name
[(1R,2R)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 187.3
[M+Na]+ 371.230518 188.2
[M-H]- 347.234024 193.4
[M+NH4]+ 366.275123 200.0
[M+K]+ 387.204458 186.7
[M+H-H2O]+ 331.238560 177.9
[M+HCOO]- 393.239501 207.6
[M+CH3COO]- 407.255151 221.6
[M+Na-2H]- 369.215966 186.6
[M]+ 348.24075142 187.5
[M]- 348.24184858 187.5
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.