CID 488758

4-[[2-amino-6-[(2,6-dichlorophenyl)methyl]-5-methyl-pyrimidin-4-yl]amino]benzonitrile

Structural Information

Molecular Formula
C19H15Cl2N5
SMILES
CC1=C(N=C(N=C1NC2=CC=C(C=C2)C#N)N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H15Cl2N5/c1-11-17(9-14-15(20)3-2-4-16(14)21)25-19(23)26-18(11)24-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H3,23,24,25,26)
InChIKey
BISBUOPJWDQBMU-UHFFFAOYSA-N
Compound name
4-[[2-amino-6-[(2,6-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.07047 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07775 194.0
[M+Na]+ 406.05969 206.0
[M-H]- 382.06319 197.7
[M+NH4]+ 401.10429 202.4
[M+K]+ 422.03363 195.9
[M+H-H2O]+ 366.06773 178.0
[M+HCOO]- 428.06867 203.4
[M+CH3COO]- 442.08432 201.4
[M+Na-2H]- 404.04514 194.8
[M]+ 383.06992 190.8
[M]- 383.07102 190.8
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.