CID 51237

Brn 5611830

Structural Information

Molecular Formula
C19H23N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NCC(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C19H23N5S/c1-13-11-16(14-7-5-6-8-15(14)22-13)23-17(21-12-19(2,3)4)24-18-20-9-10-25-18/h5-11H,12H2,1-4H3,(H2,20,21,22,23,24)
InChIKey
ARUAUVLJJMTZRL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropyl)-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

353.16742 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17470 184.7
[M+Na]+ 376.15664 192.5
[M-H]- 352.16014 191.6
[M+NH4]+ 371.20124 198.8
[M+K]+ 392.13058 186.8
[M+H-H2O]+ 336.16468 175.7
[M+HCOO]- 398.16562 204.1
[M+CH3COO]- 412.18127 220.4
[M+Na-2H]- 374.14209 189.9
[M]+ 353.16687 188.5
[M]- 353.16797 188.5
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.