CID 71736582

Asp5878

Structural Information

Molecular Formula
C18H19F2N5O4
SMILES
COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OC
InChI
InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)
InChIKey
VDZZYOJYLLNBTD-UHFFFAOYSA-N
Compound name
2-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

777
Patents

407.1405 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14778 195.3
[M+Na]+ 430.12972 206.1
[M+NH4]+ 425.17432 197.7
[M+K]+ 446.10366 202.9
[M-H]- 406.13322 194.7
[M+Na-2H]- 428.11517 200.1
[M]+ 407.13995 196.2
[M]- 407.14105 196.2
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

patents stripe