CID 3012608

1-(4-pentadecylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C22H39N3S
SMILES
CCCCCCCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C22H39N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-21-17-15-20(16-18-21)25-22(23)24/h15-18H,2-14,19H2,1H3,(H4,23,24,25)
InChIKey
JETYFEDPCLCNMM-UHFFFAOYSA-N
Compound name
2-(4-pentadecylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.28647 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.29375 196.3
[M+Na]+ 400.27569 196.9
[M-H]- 376.27919 197.7
[M+NH4]+ 395.32029 208.1
[M+K]+ 416.24963 190.6
[M+H-H2O]+ 360.28373 186.6
[M+HCOO]- 422.28467 213.4
[M+CH3COO]- 436.30032 230.6
[M+Na-2H]- 398.26114 192.7
[M]+ 377.28592 199.4
[M]- 377.28702 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.