CID 205684

1-(1-ethyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCN1CCC(C1)NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H21N3O2/c1-3-17-9-8-12(10-17)16-14(18)15-11-4-6-13(19-2)7-5-11/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKey
AZKKREYRSKLZMK-UHFFFAOYSA-N
Compound name
1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 161.5
[M+Na]+ 286.15262 166.0
[M-H]- 262.15612 166.5
[M+NH4]+ 281.19722 177.9
[M+K]+ 302.12656 163.6
[M+H-H2O]+ 246.16066 153.1
[M+HCOO]- 308.16160 184.2
[M+CH3COO]- 322.17725 200.2
[M+Na-2H]- 284.13807 163.5
[M]+ 263.16285 159.7
[M]- 263.16395 159.7
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

patents stripe