CID 384332

Nsc674016

Structural Information

Molecular Formula
C15H19ClN6O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(=NC(=N2)N)N3CCCCC3
InChI
InChI=1S/C15H19ClN6O2S2/c1-9-7-12(11(25)8-10(9)16)26(23,24)21-14-18-13(17)19-15(20-14)22-5-3-2-4-6-22/h7-8,25H,2-6H2,1H3,(H3,17,18,19,20,21)
InChIKey
WGSLUAFVXPGQLB-UHFFFAOYSA-N
Compound name
N-(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.06995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07723 190.5
[M+Na]+ 437.05917 198.9
[M-H]- 413.06267 194.2
[M+NH4]+ 432.10377 196.5
[M+K]+ 453.03311 190.2
[M+H-H2O]+ 397.06721 181.9
[M+HCOO]- 459.06815 192.1
[M+CH3COO]- 473.08380 197.7
[M+Na-2H]- 435.04462 191.5
[M]+ 414.06940 190.4
[M]- 414.07050 190.4
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.