CID 409218

Yu7m7dhg46

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C13H19N5O2S/c1-4-21(19,20)10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17)
InChIKey
NQZRQFQJBBBTGR-UHFFFAOYSA-N
Compound name
1-(4-ethylsulfonylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.12595 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 170.9
[M+Na]+ 332.11517 180.6
[M-H]- 308.11867 173.5
[M+NH4]+ 327.15977 183.5
[M+K]+ 348.08911 175.3
[M+H-H2O]+ 292.12321 163.0
[M+HCOO]- 354.12415 184.9
[M+CH3COO]- 368.13980 207.5
[M+Na-2H]- 330.10062 174.4
[M]+ 309.12540 171.3
[M]- 309.12650 171.3
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.