CID 488798

N2,n4-bis(2,6-dichlorophenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H10Cl4N4
SMILES
C1=CC(=C(C(=C1)Cl)NC2=NC(=NC=C2)NC3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl4N4/c17-9-3-1-4-10(18)14(9)22-13-7-8-21-16(23-13)24-15-11(19)5-2-6-12(15)20/h1-8H,(H2,21,22,23,24)
InChIKey
XNBMVJHDLAYPJC-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2,6-dichlorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.96594 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.97322 184.7
[M+Na]+ 420.95516 194.6
[M-H]- 396.95866 187.7
[M+NH4]+ 415.99976 193.9
[M+K]+ 436.92910 186.5
[M+H-H2O]+ 380.96320 175.8
[M+HCOO]- 442.96414 187.6
[M+CH3COO]- 456.97979 192.7
[M+Na-2H]- 418.94061 187.2
[M]+ 397.96539 186.7
[M]- 397.96649 186.7
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.