CID 481448

Chembl601520

Structural Information

Molecular Formula
C21H20N6O
SMILES
CCN1C2=C(C=C(C=C2)NCC3=COC4=NC(=NC(=C34)N)N)C5=CC=CC=C51
InChI
InChI=1S/C21H20N6O/c1-2-27-16-6-4-3-5-14(16)15-9-13(7-8-17(15)27)24-10-12-11-28-20-18(12)19(22)25-21(23)26-20/h3-9,11,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKey
JKCQJYRGQDJDLA-UHFFFAOYSA-N
Compound name
5-[[(9-ethylcarbazol-3-yl)amino]methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.16986 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17714 186.1
[M+Na]+ 395.15908 198.1
[M-H]- 371.16258 194.0
[M+NH4]+ 390.20368 199.0
[M+K]+ 411.13302 191.5
[M+H-H2O]+ 355.16712 176.9
[M+HCOO]- 417.16806 208.7
[M+CH3COO]- 431.18371 197.2
[M+Na-2H]- 393.14453 191.5
[M]+ 372.16931 190.9
[M]- 372.17041 190.9
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.