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

2
Patents

261.10483 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.112106 156.8
[M+Na]+ 284.094048 165.2
[M-H]- 260.097554 159.3
[M+NH4]+ 279.138653 169.4
[M+K]+ 300.067988 159.1
[M+H-H2O]+ 244.102090 147.4
[M+HCOO]- 306.103031 174.2
[M+CH3COO]- 320.118681 167.5
[M+Na-2H]- 282.079496 161.8
[M]+ 261.10428142 157.2
[M]- 261.10537858 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