CID 5276763

Chembl611507

Structural Information

Molecular Formula
C18H18N4
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C18H18N4/c1-14-12-17(19-13-15-8-4-2-5-9-15)22-18(20-14)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKey
NZRXKVOATWTKAR-UHFFFAOYSA-N
Compound name
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

290.15314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 167.8
[M+Na]+ 313.14236 174.1
[M-H]- 289.14586 174.5
[M+NH4]+ 308.18696 179.3
[M+K]+ 329.11630 167.7
[M+H-H2O]+ 273.15040 156.7
[M+HCOO]- 335.15134 191.4
[M+CH3COO]- 349.16699 178.2
[M+Na-2H]- 311.12781 176.1
[M]+ 290.15259 165.9
[M]- 290.15369 165.9
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.