CID 6481091

Chembl187570

Structural Information

Molecular Formula
C16H16IN5O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)I)OC)N)N
InChI
InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
CFTCUSCIZZTKPF-UHFFFAOYSA-N
Compound name
6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.03995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04723 184.4
[M+Na]+ 444.02917 187.7
[M-H]- 420.03267 181.0
[M+NH4]+ 439.07377 191.0
[M+K]+ 460.00311 187.5
[M+H-H2O]+ 404.03721 170.7
[M+HCOO]- 466.03815 199.3
[M+CH3COO]- 480.05380 190.3
[M+Na-2H]- 442.01462 177.2
[M]+ 421.03940 182.2
[M]- 421.04050 182.2
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.