CID 9570786

Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolin-2-yl)-

Structural Information

Molecular Formula
C18H23N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)N/C(=N/C3NC=CS3)/NC(C)(C)C
InChI
InChI=1S/C18H23N5S/c1-12-11-15(13-7-5-6-8-14(13)20-12)21-16(23-18(2,3)4)22-17-19-9-10-24-17/h5-11,17,19H,1-4H3,(H2,20,21,22,23)
InChIKey
BTUDHKWPMCEHCY-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-(2,3-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16742 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17470 180.1
[M+Na]+ 364.15664 185.8
[M-H]- 340.16014 185.0
[M+NH4]+ 359.20124 193.8
[M+K]+ 380.13058 180.1
[M+H-H2O]+ 324.16468 171.8
[M+HCOO]- 386.16562 195.6
[M+CH3COO]- 400.18127 215.7
[M+Na-2H]- 362.14209 183.8
[M]+ 341.16687 179.1
[M]- 341.16797 179.1
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.