CID 472846

Chembl151451

Structural Information

Molecular Formula
C25H20N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC=C65)N)N
InChI
InChI=1S/C25H20N6/c1-13-14(12-29-24-21(13)23(26)30-25(27)31-24)11-28-20-10-9-18-16-6-3-2-5-15(16)17-7-4-8-19(20)22(17)18/h2-10,12,28H,11H2,1H3,(H4,26,27,29,30,31)
InChIKey
UYPDILOOFRURAA-UHFFFAOYSA-N
Compound name
6-[(fluoranthen-3-ylamino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.17496 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18224 195.8
[M+Na]+ 427.16418 206.8
[M-H]- 403.16768 202.1
[M+NH4]+ 422.20878 207.5
[M+K]+ 443.13812 197.4
[M+H-H2O]+ 387.17222 184.4
[M+HCOO]- 449.17316 214.6
[M+CH3COO]- 463.18881 204.9
[M+Na-2H]- 425.14963 203.4
[M]+ 404.17441 198.2
[M]- 404.17551 198.2
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.