CID 209640

20070-54-6

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCCCNC(=O)N(C1CCN(C1)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H29N3O/c1-4-5-12-19-18(22)21(16-9-7-6-8-10-16)17-11-13-20(14-17)15(2)3/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,19,22)
InChIKey
YFHVYRRATBNEIE-UHFFFAOYSA-N
Compound name
3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.238326 177.9
[M+Na]+ 326.220268 179.6
[M-H]- 302.223774 183.3
[M+NH4]+ 321.264873 192.9
[M+K]+ 342.194208 177.6
[M+H-H2O]+ 286.228310 168.6
[M+HCOO]- 348.229251 198.5
[M+CH3COO]- 362.244901 213.2
[M+Na-2H]- 324.205716 176.3
[M]+ 303.23050142 176.3
[M]- 303.23159858 176.3
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

patents stripe