CID 3055143

Guanidine, n-(1,1-dimethylethyl)-n'-(2-methyl-4-quinolinyl)-n''-1,3,4-thiadiazol-2-yl-

Structural Information

Molecular Formula
C17H20N6S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NN=CS3
InChI
InChI=1S/C17H20N6S/c1-11-9-14(12-7-5-6-8-13(12)19-11)20-15(22-17(2,3)4)21-16-23-18-10-24-16/h5-10H,1-4H3,(H2,19,20,21,22,23)
InChIKey
ABPPXQPAVVPPGF-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,3,4-thiadiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15428 180.2
[M+Na]+ 363.13622 189.0
[M-H]- 339.13972 186.2
[M+NH4]+ 358.18082 193.5
[M+K]+ 379.11016 183.4
[M+H-H2O]+ 323.14426 171.0
[M+HCOO]- 385.14520 199.0
[M+CH3COO]- 399.16085 190.8
[M+Na-2H]- 361.12167 186.5
[M]+ 340.14645 183.8
[M]- 340.14755 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.