CID 488802

N2-(2,4-difluorophenyl)-n4-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H18F2N4
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=C(C=C(C=C3)F)F)C
InChI
InChI=1S/C19H18F2N4/c1-11-8-12(2)18(13(3)9-11)24-17-6-7-22-19(25-17)23-16-5-4-14(20)10-15(16)21/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKey
SRRRAGFBKHUMTQ-UHFFFAOYSA-N
Compound name
2-N-(2,4-difluorophenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.14996 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15724 182.3
[M+Na]+ 363.13918 192.1
[M-H]- 339.14268 187.7
[M+NH4]+ 358.18378 192.9
[M+K]+ 379.11312 184.5
[M+H-H2O]+ 323.14722 169.6
[M+HCOO]- 385.14816 203.2
[M+CH3COO]- 399.16381 192.3
[M+Na-2H]- 361.12463 185.3
[M]+ 340.14941 180.4
[M]- 340.15051 180.4
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.