CID 137346

4,6-dddppt

Structural Information

Molecular Formula
C18H21N5S
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)CSC3=CC=CC=C3)N)N)C
InChI
InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)12-24-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKey
OBTLMBWEMHGRBX-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

339.15176 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.159036 179.4
[M+Na]+ 362.140978 188.3
[M-H]- 338.144484 184.6
[M+NH4]+ 357.185583 190.6
[M+K]+ 378.114918 180.5
[M+H-H2O]+ 322.149020 169.3
[M+HCOO]- 384.149961 194.3
[M+CH3COO]- 398.165611 188.8
[M+Na-2H]- 360.126426 182.2
[M]+ 339.15121142 178.3
[M]- 339.15230858 178.3
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.