CID 247250

Nsc61639

Structural Information

Molecular Formula
C19H28N8O2S
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)NNS(=O)(=O)C3=CC=C(C=C3)N)N4CCCCC4
InChI
InChI=1S/C19H28N8O2S/c20-15-7-9-16(10-8-15)30(28,29)25-24-17-21-18(26-11-3-1-4-12-26)23-19(22-17)27-13-5-2-6-14-27/h7-10,25H,1-6,11-14,20H2,(H,21,22,23,24)
InChIKey
LLTJNSAHGGYKQQ-UHFFFAOYSA-N
Compound name
4-amino-N'-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21288 196.5
[M+Na]+ 455.19482 198.8
[M-H]- 431.19832 200.3
[M+NH4]+ 450.23942 197.4
[M+K]+ 471.16876 191.4
[M+H-H2O]+ 415.20286 184.0
[M+HCOO]- 477.20380 203.5
[M+CH3COO]- 491.21945 200.9
[M+Na-2H]- 453.18027 200.3
[M]+ 432.20505 187.7
[M]- 432.20615 187.7
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.