CID 3055119

Guanidine, n-(1,1-dimethylethyl)-n'-phenyl-n''-2-thiazolyl-, monohydrochloride

Structural Information

Molecular Formula
C14H18N4S
SMILES
CC(C)(C)N=C(NC1=CC=CC=C1)NC2=NC=CS2
InChI
InChI=1S/C14H18N4S/c1-14(2,3)18-12(17-13-15-9-10-19-13)16-11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,17,18)
InChIKey
WDAFWMXJVMRXAQ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-phenyl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.1252 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13248 164.4
[M+Na]+ 297.11442 173.5
[M+NH4]+ 292.15902 172.3
[M+K]+ 313.08836 167.2
[M-H]- 273.11792 168.9
[M+Na-2H]- 295.09987 172.2
[M]+ 274.12465 167.2
[M]- 274.12575 167.2
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.