CID 466230

Chembl150082

Structural Information

Molecular Formula
C22H20N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC4=C(C=C3)C5=CC=CC=C5C4)N)N
InChI
InChI=1S/C22H20N6/c1-12-15(11-26-21-19(12)20(23)27-22(24)28-21)10-25-16-6-7-18-14(9-16)8-13-4-2-3-5-17(13)18/h2-7,9,11,25H,8,10H2,1H3,(H4,23,24,26,27,28)
InChIKey
CJEKYVLLXPZBHW-UHFFFAOYSA-N
Compound name
6-[(9H-fluoren-2-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

368.17496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18224 186.7
[M+Na]+ 391.16418 196.6
[M-H]- 367.16768 192.4
[M+NH4]+ 386.20878 198.8
[M+K]+ 407.13812 188.0
[M+H-H2O]+ 351.17222 176.1
[M+HCOO]- 413.17316 206.0
[M+CH3COO]- 427.18881 196.1
[M+Na-2H]- 389.14963 192.6
[M]+ 368.17441 186.0
[M]- 368.17551 186.0
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.