CID 501264

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

Structural Information

Molecular Formula
C14H14FN5
SMILES
C1C=C(C=CC1CC2=CC3=C(N=C(N=C3N=C2)N)N)F
InChI
InChI=1S/C14H14FN5/c15-10-3-1-8(2-4-10)5-9-6-11-12(16)19-14(17)20-13(11)18-7-9/h1,3-4,6-8H,2,5H2,(H4,16,17,18,19,20)
InChIKey
ISBXOBOVZGVZRT-UHFFFAOYSA-N
Compound name
6-[(4-fluorocyclohexa-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

271.12332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13060 162.9
[M+Na]+ 294.11254 172.3
[M-H]- 270.11604 164.7
[M+NH4]+ 289.15714 175.4
[M+K]+ 310.08648 165.6
[M+H-H2O]+ 254.12058 152.0
[M+HCOO]- 316.12152 181.3
[M+CH3COO]- 330.13717 173.1
[M+Na-2H]- 292.09799 168.8
[M]+ 271.12277 158.2
[M]- 271.12387 158.2
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.