CID 3065990

1,6-dihydro-6,6-dimethyl-1-(4-((4-chlorophenyl)sulfonyl)phenyl)-1,3,5-triazine-2,4-diamine hcl

Structural Information

Molecular Formula
C17H18ClN5O2S
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)N)N)C
InChI
InChI=1S/C17H18ClN5O2S/c1-17(2)22-15(19)21-16(20)23(17)12-5-9-14(10-6-12)26(24,25)13-7-3-11(18)4-8-13/h3-10H,1-2H3,(H4,19,20,21,22)
InChIKey
FJQGDUAEFSYNRK-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)sulfonylphenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.08698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09426 187.9
[M+Na]+ 414.07620 202.3
[M+NH4]+ 409.12080 195.3
[M+K]+ 430.05014 192.3
[M-H]- 390.07970 192.5
[M+Na-2H]- 412.06165 198.0
[M]+ 391.08643 192.1
[M]- 391.08753 192.1
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.