CID 5797178

47434-16-2

Structural Information

Molecular Formula
C19H16Cl2N4
SMILES
C1=CC=C(C=C1)C/C=C/C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H16Cl2N4/c20-14-10-9-13(11-15(14)21)17-16(24-19(23)25-18(17)22)8-4-7-12-5-2-1-3-6-12/h1-6,8-11H,7H2,(H4,22,23,24,25)/b8-4+
InChIKey
WHXPNOOZKDOQEX-XBXARRHUSA-N
Compound name
5-(3,4-dichlorophenyl)-6-[(E)-3-phenylprop-1-enyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

370.0752 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08248 188.5
[M+Na]+ 393.06442 198.6
[M-H]- 369.06792 194.0
[M+NH4]+ 388.10902 198.6
[M+K]+ 409.03836 188.6
[M+H-H2O]+ 353.07246 178.8
[M+HCOO]- 415.07340 200.8
[M+CH3COO]- 429.08905 197.7
[M+Na-2H]- 391.04987 190.2
[M]+ 370.07465 189.3
[M]- 370.07575 189.3
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

No patent data available for this compound.