CID 121005

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

Structural Information

Molecular Formula
C12H15N5S
SMILES
CC(C)SC1=CC=C(C=C1)NC2=NC=NC(=N2)N
InChI
InChI=1S/C12H15N5S/c1-8(2)18-10-5-3-9(4-6-10)16-12-15-7-14-11(13)17-12/h3-8H,1-2H3,(H3,13,14,15,16,17)
InChIKey
NFPMEWOIIACALT-UHFFFAOYSA-N
Compound name
2-N-(4-propan-2-ylsulfanylphenyl)-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11211 157.5
[M+Na]+ 284.09405 165.5
[M-H]- 260.09755 160.1
[M+NH4]+ 279.13865 170.0
[M+K]+ 300.06799 159.9
[M+H-H2O]+ 244.10209 148.2
[M+HCOO]- 306.10303 173.9
[M+CH3COO]- 320.11868 168.1
[M+Na-2H]- 282.07950 161.4
[M]+ 261.10428 157.3
[M]- 261.10538 157.3
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.