CID 3012604

1-(4-undecylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C18H31N3S
SMILES
CCCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C18H31N3S/c1-2-3-4-5-6-7-8-9-10-15-22-17-13-11-16(12-14-17)21-18(19)20/h11-14H,2-10,15H2,1H3,(H4,19,20,21)
InChIKey
OAELGPUCEVWAAX-UHFFFAOYSA-N
Compound name
2-(4-undecylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.22388 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23116 179.7
[M+Na]+ 344.21310 182.1
[M-H]- 320.21660 181.9
[M+NH4]+ 339.25770 193.8
[M+K]+ 360.18704 176.6
[M+H-H2O]+ 304.22114 170.8
[M+HCOO]- 366.22208 198.1
[M+CH3COO]- 380.23773 218.7
[M+Na-2H]- 342.19855 178.0
[M]+ 321.22333 181.4
[M]- 321.22443 181.4
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.