CID 3065988

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

Structural Information

Molecular Formula
C17H18FN5O2S
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)N)N)C
InChI
InChI=1S/C17H18FN5O2S/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
UTGSXIMBUVXRNS-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)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

375.11652 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12380 187.0
[M+Na]+ 398.10574 197.3
[M-H]- 374.10924 191.6
[M+NH4]+ 393.15034 196.5
[M+K]+ 414.07968 190.1
[M+H-H2O]+ 358.11378 176.6
[M+HCOO]- 420.11472 200.0
[M+CH3COO]- 434.13037 219.4
[M+Na-2H]- 396.09119 190.1
[M]+ 375.11597 185.8
[M]- 375.11707 185.8
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.