CID 488748

6-[(2,6-dichlorophenyl)methyl]-n4-(4-fluorophenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H13Cl2FN4
SMILES
C1=CC(=C(C(=C1)Cl)CC2=CC(=NC(=N2)N)NC3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C17H13Cl2FN4/c18-14-2-1-3-15(19)13(14)8-12-9-16(24-17(21)23-12)22-11-6-4-10(20)5-7-11/h1-7,9H,8H2,(H3,21,22,23,24)
InChIKey
QFRBLDOIXTWVKW-UHFFFAOYSA-N
Compound name
6-[(2,6-dichlorophenyl)methyl]-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05014 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05742 181.3
[M+Na]+ 385.03936 191.9
[M-H]- 361.04286 186.1
[M+NH4]+ 380.08396 191.9
[M+K]+ 401.01330 182.7
[M+H-H2O]+ 345.04740 170.8
[M+HCOO]- 407.04834 193.7
[M+CH3COO]- 421.06399 191.0
[M+Na-2H]- 383.02481 184.6
[M]+ 362.04959 182.2
[M]- 362.05069 182.2
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.