CID 3012607

1-(4-tetradecylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C21H37N3S
SMILES
CCCCCCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C21H37N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-20-16-14-19(15-17-20)24-21(22)23/h14-17H,2-13,18H2,1H3,(H4,22,23,24)
InChIKey
CYJBELQPEAPVNG-UHFFFAOYSA-N
Compound name
2-(4-tetradecylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.2708 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.27808 192.2
[M+Na]+ 386.26002 193.2
[M-H]- 362.26352 193.7
[M+NH4]+ 381.30462 204.5
[M+K]+ 402.23396 187.1
[M+H-H2O]+ 346.26806 182.7
[M+HCOO]- 408.26900 209.6
[M+CH3COO]- 422.28465 227.6
[M+Na-2H]- 384.24547 189.1
[M]+ 363.27025 194.9
[M]- 363.27135 194.9
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.