CID 505529

Schembl1181588

Structural Information

Molecular Formula
C20H21N7
SMILES
CC1=CC(=C(C(=C1)C)N(C)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C
InChI
InChI=1S/C20H21N7/c1-12-9-13(2)17(14(3)10-12)27(4)20-25-18(22)24-19(26-20)23-16-7-5-15(11-21)6-8-16/h5-10H,1-4H3,(H3,22,23,24,25,26)
InChIKey
YZFONMVHHPTCCK-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

359.18585 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19313 192.6
[M+Na]+ 382.17507 201.6
[M-H]- 358.17857 196.8
[M+NH4]+ 377.21967 199.1
[M+K]+ 398.14901 195.3
[M+H-H2O]+ 342.18311 173.9
[M+HCOO]- 404.18405 210.2
[M+CH3COO]- 418.19970 199.7
[M+Na-2H]- 380.16052 194.1
[M]+ 359.18530 186.9
[M]- 359.18640 186.9
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.