CID 505540

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

Structural Information

Molecular Formula
C19H19N7O2
SMILES
COC1=CC(=C(C=C1)CNC2=NC(=NC(=N2)N)NC3=CC=C(C=C3)C#N)OC
InChI
InChI=1S/C19H19N7O2/c1-27-15-8-5-13(16(9-15)28-2)11-22-18-24-17(21)25-19(26-18)23-14-6-3-12(10-20)4-7-14/h3-9H,11H2,1-2H3,(H4,21,22,23,24,25,26)
InChIKey
FJAFBDNOFKEGPW-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-[(2,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16003 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16731 190.2
[M+Na]+ 400.14925 198.2
[M-H]- 376.15275 192.9
[M+NH4]+ 395.19385 195.0
[M+K]+ 416.12319 192.3
[M+H-H2O]+ 360.15729 171.3
[M+HCOO]- 422.15823 208.0
[M+CH3COO]- 436.17388 234.5
[M+Na-2H]- 398.13470 193.9
[M]+ 377.15948 185.1
[M]- 377.16058 185.1
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.