CID 481445

5-[(9h-fluoren-1-ylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 344.15058 174.9
[M+Na]+ 366.13252 185.7
[M-H]- 342.13602 183.5
[M+NH4]+ 361.17712 190.0
[M+K]+ 382.10646 179.7
[M+H-H2O]+ 326.14056 166.5
[M+HCOO]- 388.14150 198.0
[M+CH3COO]- 402.15715 186.6
[M+Na-2H]- 364.11797 181.0
[M]+ 343.14275 177.2
[M]- 343.14385 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.