CID 203306

Pseudourea, 1,3-diisopropyl-2-(1-naphthylmethyl)-2-thio-, hydrochloride

Structural Information

Molecular Formula
C18H24N2S
SMILES
CC(C)NC(=NC(C)C)SCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H24N2S/c1-13(2)19-18(20-14(3)4)21-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,13-14H,12H2,1-4H3,(H,19,20)
InChIKey
SIFHWFXRLYWKPY-UHFFFAOYSA-N
Compound name
naphthalen-1-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16602 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17330 172.4
[M+Na]+ 323.15524 176.7
[M-H]- 299.15874 177.2
[M+NH4]+ 318.19984 189.2
[M+K]+ 339.12918 172.7
[M+H-H2O]+ 283.16328 164.7
[M+HCOO]- 345.16422 189.1
[M+CH3COO]- 359.17987 212.6
[M+Na-2H]- 321.14069 173.6
[M]+ 300.16547 174.5
[M]- 300.16657 174.5
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.