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]+ 322.19138 177.9
[M+Na]+ 344.17332 180.5
[M-H]- 320.17682 186.5
[M+NH4]+ 339.21792 191.5
[M+K]+ 360.14726 176.2
[M+H-H2O]+ 304.18136 167.5
[M+HCOO]- 366.18230 200.3
[M+CH3COO]- 380.19795 213.3
[M+Na-2H]- 342.15877 178.9
[M]+ 321.18355 174.3
[M]- 321.18465 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.