CID 51526

72041-98-6

Structural Information

Molecular Formula
C19H23N5S
SMILES
CCCCCN(C1=NC=CS1)C(=NC2=CC(=NC3=CC=CC=C32)C)N
InChI
InChI=1S/C19H23N5S/c1-3-4-7-11-24(19-21-10-12-25-19)18(20)23-17-13-14(2)22-16-9-6-5-8-15(16)17/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H2,20,22,23)
InChIKey
VPBBWAYQGPMPLG-UHFFFAOYSA-N
Compound name
2-(2-methylquinolin-4-yl)-1-pentyl-1-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 183.5
[M+Na]+ 376.15664 190.8
[M-H]- 352.16014 190.9
[M+NH4]+ 371.20124 197.6
[M+K]+ 392.13058 185.5
[M+H-H2O]+ 336.16468 173.6
[M+HCOO]- 398.16562 204.2
[M+CH3COO]- 412.18127 194.0
[M+Na-2H]- 374.14209 186.1
[M]+ 353.16687 188.2
[M]- 353.16797 188.2
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.