CID 3055124

72041-76-0

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC(C)(C)N=C(NC1=CC2=CC=CC=C2C=C1)NC3=NC=CS3
InChI
InChI=1S/C18H20N4S/c1-18(2,3)22-16(21-17-19-10-11-23-17)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,19,20,21,22)
InChIKey
YOWFRQPQNGSXCZ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.14087 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 175.5
[M+Na]+ 347.13009 182.9
[M-H]- 323.13359 183.5
[M+NH4]+ 342.17469 191.8
[M+K]+ 363.10403 177.6
[M+H-H2O]+ 307.13813 167.3
[M+HCOO]- 369.13907 196.6
[M+CH3COO]- 383.15472 186.8
[M+Na-2H]- 345.11554 181.8
[M]+ 324.14032 178.2
[M]- 324.14142 178.2
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.