CID 488755

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

Structural Information

Molecular Formula
C19H15Cl2N5
SMILES
CNC1=NC(=CC(=N1)NC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H15Cl2N5/c1-23-19-25-14(9-15-16(20)3-2-4-17(15)21)10-18(26-19)24-13-7-5-12(11-22)6-8-13/h2-8,10H,9H2,1H3,(H2,23,24,25,26)
InChIKey
IRPLLLGMQADATO-UHFFFAOYSA-N
Compound name
4-[[6-[(2,6-dichlorophenyl)methyl]-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.07047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07775 192.2
[M+Na]+ 406.05969 203.5
[M-H]- 382.06319 195.9
[M+NH4]+ 401.10429 200.5
[M+K]+ 422.03363 193.4
[M+H-H2O]+ 366.06773 175.8
[M+HCOO]- 428.06867 202.2
[M+CH3COO]- 442.08432 199.6
[M+Na-2H]- 404.04514 194.7
[M]+ 383.06992 189.5
[M]- 383.07102 189.5
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.