CID 155128494

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Structural Information

Molecular Formula
C22H18FN5O2
SMILES
CC1=C(C=CC=N1)C2=CC3=C(NCC4=C(C=CC5=C4[C@H](CO5)CO3)F)N6C2=NN=C6
InChI
InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1
InChIKey
JQBUTSBIFNKJMW-CYBMUJFWSA-N
Compound name
(15R)-21-fluoro-10-(2-methylpyridin-3-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

403.14444 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15172 201.2
[M+Na]+ 426.13366 203.3
[M+NH4]+ 421.17826 201.9
[M+K]+ 442.10760 201.2
[M-H]- 402.13716 201.7
[M+Na-2H]- 424.11911 199.5
[M]+ 403.14389 201.7
[M]- 403.14499 201.7
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

patents stripe