CID 37930

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

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2N(CC)CC
InChI
InChI=1S/C20H32N2O3/c1-4-14-24-17-11-9-10-16(15-17)21-20(23)25-19-13-8-7-12-18(19)22(5-2)6-3/h9-11,15,18-19H,4-8,12-14H2,1-3H3,(H,21,23)/t18-,19-/m1/s1
InChIKey
QBLWSMFAGZUVKR-RTBURBONSA-N
Compound name
[(1R,2R)-2-(diethylamino)cyclohexyl] N-(3-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 187.3
[M+Na]+ 371.23052 188.2
[M-H]- 347.23402 193.4
[M+NH4]+ 366.27512 200.0
[M+K]+ 387.20446 186.7
[M+H-H2O]+ 331.23856 177.9
[M+HCOO]- 393.23950 207.6
[M+CH3COO]- 407.25515 221.6
[M+Na-2H]- 369.21597 186.6
[M]+ 348.24075 187.5
[M]- 348.24185 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.