CID 505486

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

Structural Information

Molecular Formula
C20H21N7
SMILES
CCC1=C(C(=CC=C1)CC)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N
InChI
InChI=1S/C20H21N7/c1-3-14-6-5-7-15(4-2)17(14)24-20-26-18(22)25-19(27-20)23-16-10-8-13(12-21)9-11-16/h5-11H,3-4H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey
CEMWFXQYWYCASV-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-(2,6-diethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18585 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19313 190.4
[M+Na]+ 382.17507 198.7
[M-H]- 358.17857 193.0
[M+NH4]+ 377.21967 196.2
[M+K]+ 398.14901 191.0
[M+H-H2O]+ 342.18311 171.8
[M+HCOO]- 404.18405 207.7
[M+CH3COO]- 418.19970 196.9
[M+Na-2H]- 380.16052 193.5
[M]+ 359.18530 183.4
[M]- 359.18640 183.4
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.