CID 499843

2-pyrrolidin-1-ylethyl n-(4-decoxyphenyl)carbamate

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-8-11-19-27-22-14-12-21(13-15-22)24-23(26)28-20-18-25-16-9-10-17-25/h12-15H,2-11,16-20H2,1H3,(H,24,26)
InChIKey
UNAOEPXRUHFPNY-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(4-decoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.28824 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 201.1
[M+Na]+ 413.27746 201.3
[M-H]- 389.28096 203.8
[M+NH4]+ 408.32206 212.1
[M+K]+ 429.25140 197.4
[M+H-H2O]+ 373.28550 190.8
[M+HCOO]- 435.28644 219.8
[M+CH3COO]- 449.30209 222.8
[M+Na-2H]- 411.26291 198.6
[M]+ 390.28769 204.1
[M]- 390.28879 204.1
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.