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 163.7
[M+Na]+ 297.11442 169.4
[M-H]- 273.11792 170.6
[M+NH4]+ 292.15902 180.7
[M+K]+ 313.08836 165.8
[M+H-H2O]+ 257.12246 155.4
[M+HCOO]- 319.12340 184.7
[M+CH3COO]- 333.13905 203.2
[M+Na-2H]- 295.09987 168.1
[M]+ 274.12465 164.1
[M]- 274.12575 164.1
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.