CID 3054281

71079-49-7

Structural Information

Molecular Formula
C20H25N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)C(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C20H25N5S/c1-13-12-17(15-8-6-7-9-16(15)22-13)24-18(23-14(2)20(3,4)5)25-19-21-10-11-26-19/h6-12,14H,1-5H3,(H2,21,22,23,24,25)
InChIKey
APSCGBRBKJTSAJ-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbutan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.18307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19035 188.0
[M+Na]+ 390.17229 199.0
[M+NH4]+ 385.21689 195.3
[M+K]+ 406.14623 192.1
[M-H]- 366.17579 192.9
[M+Na-2H]- 388.15774 195.7
[M]+ 367.18252 191.3
[M]- 367.18362 191.3
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.