CID 16073816

6,6-dimethyl-1-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C12H17N5S
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)SC)N)N)C
InChI
InChI=1S/C12H17N5S/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H4,13,14,15,16)
InChIKey
MIPCLNPEUGSDPB-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12773 158.8
[M+Na]+ 286.10967 168.8
[M-H]- 262.11317 161.5
[M+NH4]+ 281.15427 173.7
[M+K]+ 302.08361 163.1
[M+H-H2O]+ 246.11771 150.7
[M+HCOO]- 308.11865 174.1
[M+CH3COO]- 322.13430 169.9
[M+Na-2H]- 284.09512 161.7
[M]+ 263.11990 158.2
[M]- 263.12100 158.2
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.