CID 850366

Chembl4561434

Structural Information

Molecular Formula
C18H18N4
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C
InChI
InChI=1S/C18H18N4/c1-13-3-7-15(8-4-13)20-17-11-12-19-18(22-17)21-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKey
BOLXBVMXBFQRJY-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

290.15314 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 168.9
[M+Na]+ 313.14236 176.3
[M-H]- 289.14586 176.1
[M+NH4]+ 308.18696 180.8
[M+K]+ 329.11630 169.9
[M+H-H2O]+ 273.15040 158.0
[M+HCOO]- 335.15134 192.5
[M+CH3COO]- 349.16699 179.7
[M+Na-2H]- 311.12781 176.4
[M]+ 290.15259 167.5
[M]- 290.15369 167.5
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.