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]+ 340.15904 177.9
[M+Na]+ 362.14098 192.4
[M+NH4]+ 357.18558 186.9
[M+K]+ 378.11492 180.8
[M-H]- 338.14448 184.5
[M+Na-2H]- 360.12643 189.2
[M]+ 339.15121 182.6
[M]- 339.15231 182.6
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.