CID 29903

N-(1-allyl-3-pyrrolidinyl)carbanilide oxalate

Structural Information

Molecular Formula
C20H23N3O
SMILES
C=CCN1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-2-14-22-15-13-19(16-22)23(18-11-7-4-8-12-18)20(24)21-17-9-5-3-6-10-17/h2-12,19H,1,13-16H2,(H,21,24)
InChIKey
LLTCMCGPOTYHMH-UHFFFAOYSA-N
Compound name
1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 177.9
[M+Na]+ 344.173318 180.5
[M-H]- 320.176824 186.5
[M+NH4]+ 339.217923 191.5
[M+K]+ 360.147258 176.2
[M+H-H2O]+ 304.181360 167.5
[M+HCOO]- 366.182301 200.3
[M+CH3COO]- 380.197951 213.3
[M+Na-2H]- 342.158766 178.9
[M]+ 321.18355142 174.3
[M]- 321.18464858 174.3
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.