CID 5276765

Schembl13329902

Structural Information

Molecular Formula
C23H20N4
SMILES
C1=CC=C(C=C1)CNC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C23H20N4/c1-4-10-18(11-5-1)17-24-22-16-21(19-12-6-2-7-13-19)26-23(27-22)25-20-14-8-3-9-15-20/h1-16H,17H2,(H2,24,25,26,27)
InChIKey
JWVKQJSTPQPWLS-UHFFFAOYSA-N
Compound name
4-N-benzyl-2-N,6-diphenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.1688 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17608 183.4
[M+Na]+ 375.15802 188.7
[M-H]- 351.16152 192.5
[M+NH4]+ 370.20262 191.6
[M+K]+ 391.13196 180.5
[M+H-H2O]+ 335.16606 170.6
[M+HCOO]- 397.16700 206.2
[M+CH3COO]- 411.18265 192.4
[M+Na-2H]- 373.14347 191.7
[M]+ 352.16825 180.4
[M]- 352.16935 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

patents stripe