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 181.8
[M+Na]+ 358.19234 188.1
[M+NH4]+ 353.23694 188.5
[M+K]+ 374.16628 182.2
[M-H]- 334.19584 184.7
[M+Na-2H]- 356.17779 185.8
[M]+ 335.20257 183.5
[M]- 335.20367 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.