CID 25023738

Bi-d1870

Structural Information

Molecular Formula
C19H23F2N5O2
SMILES
CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C
InChI
InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
InChIKey
DTEKTGDVSARYDS-UHFFFAOYSA-N
Compound name
2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

186
Patents

391.18198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18926 196.8
[M+Na]+ 414.17120 208.0
[M+NH4]+ 409.21580 200.0
[M+K]+ 430.14514 202.3
[M-H]- 390.17470 195.7
[M+Na-2H]- 412.15665 198.7
[M]+ 391.18143 197.7
[M]- 391.18253 197.7
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

patents stripe