CID 3055123

Guanidine, 1-tert-butyl-2-(5-hydroxy-1-naphthyl)-3-(2-thiazolyl)-, mononitrate

Structural Information

Molecular Formula
C18H20N4OS
SMILES
CC(C)(C)N=C(NC1=CC=CC2=C1C=CC=C2O)NC3=NC=CS3
InChI
InChI=1S/C18H20N4OS/c1-18(2,3)22-16(21-17-19-10-11-24-17)20-14-8-4-7-13-12(14)6-5-9-15(13)23/h4-11,23H,1-3H3,(H2,19,20,21,22)
InChIKey
JZCSAGSAYLIWDA-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(5-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14305 178.8
[M+Na]+ 363.12499 186.3
[M-H]- 339.12849 185.8
[M+NH4]+ 358.16959 193.9
[M+K]+ 379.09893 180.8
[M+H-H2O]+ 323.13303 171.0
[M+HCOO]- 385.13397 198.5
[M+CH3COO]- 399.14962 214.6
[M+Na-2H]- 361.11044 184.3
[M]+ 340.13522 181.4
[M]- 340.13632 181.4
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.