CID 3070381

N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-n'-phenylthiourea monohydrochloride

Structural Information

Molecular Formula
C18H29N3OS
SMILES
CC(C)COCC(CNC(=S)NC1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C18H29N3OS/c1-15(2)13-22-14-17(21-10-6-7-11-21)12-19-18(23)20-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H2,19,20,23)
InChIKey
LOLKFBHFVONFFZ-UHFFFAOYSA-N
Compound name
1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20312 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21040 183.1
[M+Na]+ 358.19234 183.9
[M-H]- 334.19584 186.7
[M+NH4]+ 353.23694 196.5
[M+K]+ 374.16628 180.2
[M+H-H2O]+ 318.20038 174.2
[M+HCOO]- 380.20132 197.0
[M+CH3COO]- 394.21697 213.0
[M+Na-2H]- 356.17779 179.8
[M]+ 335.20257 181.7
[M]- 335.20367 181.7
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.