CID 211407

1-pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)

Structural Information

Molecular Formula
C21H26N2O4
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O4/c1-25-19-10-5-6-11-20(19)27-18-12-14-23(16-18)13-7-15-26-21(24)22-17-8-3-2-4-9-17/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24)
InChIKey
KZFULRFCNQHRER-UHFFFAOYSA-N
Compound name
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 188.2
[M+Na]+ 393.178488 191.2
[M-H]- 369.181994 195.6
[M+NH4]+ 388.223093 199.6
[M+K]+ 409.152428 188.0
[M+H-H2O]+ 353.186530 177.8
[M+HCOO]- 415.187471 209.1
[M+CH3COO]- 429.203121 216.1
[M+Na-2H]- 391.163936 188.5
[M]+ 370.18872142 189.6
[M]- 370.18981858 189.6
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.