CID 209640

3-butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-urea fumarate

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]+ 304.23833 177.9
[M+Na]+ 326.22027 179.6
[M-H]- 302.22377 183.3
[M+NH4]+ 321.26487 192.9
[M+K]+ 342.19421 177.6
[M+H-H2O]+ 286.22831 168.6
[M+HCOO]- 348.22925 198.5
[M+CH3COO]- 362.24490 213.2
[M+Na-2H]- 324.20572 176.3
[M]+ 303.23050 176.3
[M]- 303.23160 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