CID 472845

Chembl359144

Structural Information

Molecular Formula
C25H20N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)N)N
InChI
InChI=1S/C25H20N6/c1-13-17(12-29-24-20(13)23(26)30-25(27)31-24)11-28-19-10-8-16-6-5-14-3-2-4-15-7-9-18(19)22(16)21(14)15/h2-10,12,28H,11H2,1H3,(H4,26,27,29,30,31)
InChIKey
ZXPLJUACCJOOLA-UHFFFAOYSA-N
Compound name
5-methyl-6-[(pyren-1-ylamino)methyl]pyrido[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

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18224 199.3
[M+Na]+ 427.16418 210.1
[M-H]- 403.16768 204.2
[M+NH4]+ 422.20878 209.1
[M+K]+ 443.13812 200.7
[M+H-H2O]+ 387.17222 186.5
[M+HCOO]- 449.17316 216.8
[M+CH3COO]- 463.18881 207.6
[M+Na-2H]- 425.14963 210.2
[M]+ 404.17441 202.1
[M]- 404.17551 202.1
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.