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 165.2
[M-H]- 260.09755 159.3
[M+NH4]+ 279.13865 169.4
[M+K]+ 300.06799 159.1
[M+H-H2O]+ 244.10209 147.4
[M+HCOO]- 306.10303 174.2
[M+CH3COO]- 320.11868 167.5
[M+Na-2H]- 282.07950 161.8
[M]+ 261.10428 157.2
[M]- 261.10538 157.2
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

patents stripe