CID 3012605

1-(4-dodecylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C19H33N3S
SMILES
CCCCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C19H33N3S/c1-2-3-4-5-6-7-8-9-10-11-16-23-18-14-12-17(13-15-18)22-19(20)21/h12-15H,2-11,16H2,1H3,(H4,20,21,22)
InChIKey
XSLJZFMNJTXASU-UHFFFAOYSA-N
Compound name
2-(4-dodecylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.23953 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.24681 183.9
[M+Na]+ 358.22875 185.8
[M-H]- 334.23225 185.9
[M+NH4]+ 353.27335 197.4
[M+K]+ 374.20269 180.1
[M+H-H2O]+ 318.23679 174.8
[M+HCOO]- 380.23773 201.9
[M+CH3COO]- 394.25338 221.7
[M+Na-2H]- 356.21420 181.7
[M]+ 335.23898 185.9
[M]- 335.24008 185.9
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.