CID 3054310

Brn 5614015

Structural Information

Molecular Formula
C18H21N5OS
SMILES
CC(C)(C)N=C(NC1=C2C=C(C=CC2=NC=C1)OC)NC3=NC=CS3
InChI
InChI=1S/C18H21N5OS/c1-18(2,3)23-16(22-17-20-9-10-25-17)21-15-7-8-19-14-6-5-12(24-4)11-13(14)15/h5-11H,1-4H3,(H2,19,20,21,22,23)
InChIKey
GNKFMHRUAOXFTL-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(6-methoxyquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15395 183.5
[M+Na]+ 378.13589 191.4
[M-H]- 354.13939 190.6
[M+NH4]+ 373.18049 197.4
[M+K]+ 394.10983 186.6
[M+H-H2O]+ 338.14393 174.6
[M+HCOO]- 400.14487 203.4
[M+CH3COO]- 414.16052 219.6
[M+Na-2H]- 376.12134 189.4
[M]+ 355.14612 188.3
[M]- 355.14722 188.3
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.