CID 80563451

2247103-88-2

Structural Information

Molecular Formula
C13H19N3O
SMILES
CC1=CC(=CC=C1)NC(=O)NCC2CCNC2
InChI
InChI=1S/C13H19N3O/c1-10-3-2-4-12(7-10)16-13(17)15-9-11-5-6-14-8-11/h2-4,7,11,14H,5-6,8-9H2,1H3,(H2,15,16,17)
InChIKey
AGPZAASKSFRPPC-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 156.0
[M+Na]+ 256.14204 164.5
[M+NH4]+ 251.18664 163.2
[M+K]+ 272.11598 160.5
[M-H]- 232.14554 158.9
[M+Na-2H]- 254.12749 161.4
[M]+ 233.15227 157.6
[M]- 233.15337 157.6
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.