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 179.4
[M+Na]+ 362.14098 188.3
[M-H]- 338.14448 184.6
[M+NH4]+ 357.18558 190.6
[M+K]+ 378.11492 180.5
[M+H-H2O]+ 322.14902 169.3
[M+HCOO]- 384.14996 194.3
[M+CH3COO]- 398.16561 188.8
[M+Na-2H]- 360.12643 182.2
[M]+ 339.15121 178.3
[M]- 339.15231 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.