CID 850367

N2,n4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H18N4O2
SMILES
COC1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)20-17-11-12-19-18(22-17)21-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKey
CZZKMTODGZXDCD-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

322.14297 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 174.7
[M+Na]+ 345.13219 181.6
[M-H]- 321.13569 182.0
[M+NH4]+ 340.17679 185.1
[M+K]+ 361.10613 176.7
[M+H-H2O]+ 305.14023 163.3
[M+HCOO]- 367.14117 198.7
[M+CH3COO]- 381.15682 185.2
[M+Na-2H]- 343.11764 182.3
[M]+ 322.14242 176.0
[M]- 322.14352 176.0
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.