CID 60550

P-(2-morpholinoethoxy)carbanilic acid cycloheptyl ester hydrochloride

Structural Information

Molecular Formula
C20H30N2O4
SMILES
C1CCCC(CC1)OC(=O)NC2=CC=C(C=C2)OCCN3CCOCC3
InChI
InChI=1S/C20H30N2O4/c23-20(26-19-5-3-1-2-4-6-19)21-17-7-9-18(10-8-17)25-16-13-22-11-14-24-15-12-22/h7-10,19H,1-6,11-16H2,(H,21,23)
InChIKey
QBIVEKRCWGPZEV-UHFFFAOYSA-N
Compound name
cycloheptyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 185.9
[M+Na]+ 385.209768 183.8
[M-H]- 361.213274 192.9
[M+NH4]+ 380.254373 193.2
[M+K]+ 401.183708 186.9
[M+H-H2O]+ 345.217810 175.6
[M+HCOO]- 407.218751 199.3
[M+CH3COO]- 421.234401 213.8
[M+Na-2H]- 383.195216 186.3
[M]+ 362.22000142 177.9
[M]- 362.22109858 177.9
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.