CID 64487

72042-02-5

Structural Information

Molecular Formula
C24H27N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC34CC5CC(C3)CC(C5)C4)NC6=NC=CS6
InChI
InChI=1S/C24H27N5S/c1-15-8-21(19-4-2-3-5-20(19)26-15)27-22(28-23-25-6-7-30-23)29-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18H,9-14H2,1H3,(H2,25,26,27,28,29)
InChIKey
WQLJPDHETNRRQI-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-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

417.19873 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20601 186.9
[M+Na]+ 440.18795 197.9
[M+NH4]+ 435.23255 199.5
[M+K]+ 456.16189 186.5
[M-H]- 416.19145 190.7
[M+Na-2H]- 438.17340 189.7
[M]+ 417.19818 190.2
[M]- 417.19928 190.2
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.