CID 697225

Tcmdc-123662

Structural Information

Molecular Formula
C19H20N4
SMILES
CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C19H20N4/c1-15-12-18(20-13-16-8-4-2-5-9-16)23-19(22-15)21-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKey
OTEYDVXTQBPLOL-UHFFFAOYSA-N
Compound name
2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

304.1688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 172.1
[M+Na]+ 327.15802 178.0
[M-H]- 303.16152 178.7
[M+NH4]+ 322.20262 183.1
[M+K]+ 343.13196 171.4
[M+H-H2O]+ 287.16606 160.8
[M+HCOO]- 349.16700 195.4
[M+CH3COO]- 363.18265 182.1
[M+Na-2H]- 325.14347 179.9
[M]+ 304.16825 170.6
[M]- 304.16935 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe