CID 505483

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

Structural Information

Molecular Formula
C20H21N7
SMILES
CC1=C(C(=CC=C1)C(C)C)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N
InChI
InChI=1S/C20H21N7/c1-12(2)16-6-4-5-13(3)17(16)24-20-26-18(22)25-19(27-20)23-15-9-7-14(11-21)8-10-15/h4-10,12H,1-3H3,(H4,22,23,24,25,26,27)
InChIKey
JWLQEVVPPIFLTR-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-(2-methyl-6-propan-2-ylanilino)-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19313 191.9
[M+Na]+ 382.17507 199.8
[M-H]- 358.17857 194.7
[M+NH4]+ 377.21967 197.6
[M+K]+ 398.14901 192.7
[M+H-H2O]+ 342.18311 173.5
[M+HCOO]- 404.18405 208.3
[M+CH3COO]- 418.19970 198.2
[M+Na-2H]- 380.16052 193.9
[M]+ 359.18530 184.3
[M]- 359.18640 184.3
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.