CID 505517

4-[[4-amino-6-(3-amino-2,4,6-trimethyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile

Structural Information

Molecular Formula
C19H20N8
SMILES
CC1=CC(=C(C(=C1N)C)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C
InChI
InChI=1S/C19H20N8/c1-10-8-11(2)16(12(3)15(10)21)24-19-26-17(22)25-18(27-19)23-14-6-4-13(9-20)5-7-14/h4-8H,21H2,1-3H3,(H4,22,23,24,25,26,27)
InChIKey
MCLKLQHMIYKHTJ-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-(3-amino-2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1811 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18838 194.2
[M+Na]+ 383.17032 203.5
[M-H]- 359.17382 197.4
[M+NH4]+ 378.21492 200.0
[M+K]+ 399.14426 196.6
[M+H-H2O]+ 343.17836 176.2
[M+HCOO]- 405.17930 212.0
[M+CH3COO]- 419.19495 200.8
[M+Na-2H]- 381.15577 195.6
[M]+ 360.18055 186.2
[M]- 360.18165 186.2
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.