CID 481446

Chembl598605

Structural Information

Molecular Formula
C20H17N5O
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)NCC4=COC5=NC(=NC(=C45)N)N
InChI
InChI=1S/C20H17N5O/c21-18-17-13(10-26-19(17)25-20(22)24-18)9-23-14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,10,23H,7,9H2,(H4,21,22,24,25)
InChIKey
ODAGVXOQWQWXRK-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-2-ylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1433 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.150576 174.9
[M+Na]+ 366.132518 185.7
[M-H]- 342.136024 183.5
[M+NH4]+ 361.177123 190.0
[M+K]+ 382.106458 179.7
[M+H-H2O]+ 326.140560 166.5
[M+HCOO]- 388.141501 198.0
[M+CH3COO]- 402.157151 186.6
[M+Na-2H]- 364.117966 181.0
[M]+ 343.14275142 177.2
[M]- 343.14384858 177.2
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.