CID 391849

Nsc691511

Structural Information

Molecular Formula
C15H21N7O2S
SMILES
CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H21N7O2S/c1-10-13(14(16)20-15(17)19-10)22-8-6-21(7-9-22)11-2-4-12(5-3-11)25(18,23)24/h2-5H,6-9H2,1H3,(H2,18,23,24)(H4,16,17,19,20)
InChIKey
FMCZZHHURORSMI-UHFFFAOYSA-N
Compound name
4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14774 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15502 185.9
[M+Na]+ 386.13696 193.4
[M-H]- 362.14046 189.4
[M+NH4]+ 381.18156 191.9
[M+K]+ 402.11090 186.2
[M+H-H2O]+ 346.14500 175.8
[M+HCOO]- 408.14594 197.0
[M+CH3COO]- 422.16159 220.0
[M+Na-2H]- 384.12241 187.3
[M]+ 363.14719 180.8
[M]- 363.14829 180.8
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.