CID 501263

6-[(2-chlorocyclohexa-2,4-dien-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C14H14ClN5
SMILES
C1C=CC=C(C1CC2=CC3=C(N=C(N=C3N=C2)N)N)Cl
InChI
InChI=1S/C14H14ClN5/c15-11-4-2-1-3-9(11)5-8-6-10-12(16)19-14(17)20-13(10)18-7-8/h1-2,4,6-7,9H,3,5H2,(H4,16,17,18,19,20)
InChIKey
OCMCEKAYYFFYIM-UHFFFAOYSA-N
Compound name
6-[(2-chlorocyclohexa-2,4-dien-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.09378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10106 166.2
[M+Na]+ 310.08300 176.2
[M-H]- 286.08650 169.0
[M+NH4]+ 305.12760 178.9
[M+K]+ 326.05694 168.6
[M+H-H2O]+ 270.09104 156.7
[M+HCOO]- 332.09198 181.0
[M+CH3COO]- 346.10763 176.5
[M+Na-2H]- 308.06845 172.1
[M]+ 287.09323 164.7
[M]- 287.09433 164.7
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.