CID 37957

P-propoxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride

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]+ 349.24858 187.7
[M+Na]+ 371.23052 196.2
[M+NH4]+ 366.27512 194.2
[M+K]+ 387.20446 189.6
[M-H]- 347.23402 191.8
[M+Na-2H]- 369.21597 192.4
[M]+ 348.24075 189.7
[M]- 348.24185 189.7
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.