CID 95132

S-triazine, 2-amino-4-(p-(propylthio)anilino)-

Structural Information

Molecular Formula
C12H15N5S
SMILES
CCCSC1=CC=C(C=C1)NC2=NC=NC(=N2)N
InChI
InChI=1S/C12H15N5S/c1-2-7-18-10-5-3-9(4-6-10)16-12-15-8-14-11(13)17-12/h3-6,8H,2,7H2,1H3,(H3,13,14,15,16,17)
InChIKey
SMVRFEZHYMSGJK-UHFFFAOYSA-N
Compound name
2-N-(4-propylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10483 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11211 156.8
[M+Na]+ 284.09405 169.8
[M+NH4]+ 279.13865 164.3
[M+K]+ 300.06799 160.8
[M-H]- 260.09755 161.0
[M+Na-2H]- 282.07950 165.4
[M]+ 261.10428 160.2
[M]- 261.10538 160.2
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.