CID 11674979

(e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

Structural Information

Molecular Formula
C21H14F2N2O2
SMILES
COC1=CC=CC(=C1)C(=O)C2=CNC3=NC=CC(=C23)C4=CC(=CC(=C4)F)F
InChI
InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11H,1H3,(H,24,25)
InChIKey
MCTZMJQJFCGZBX-UHFFFAOYSA-N
Compound name
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

364.10233 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10961 184.1
[M+Na]+ 387.09155 195.1
[M-H]- 363.09505 189.6
[M+NH4]+ 382.13615 195.8
[M+K]+ 403.06549 187.2
[M+H-H2O]+ 347.09959 172.4
[M+HCOO]- 409.10053 202.4
[M+CH3COO]- 423.11618 194.4
[M+Na-2H]- 385.07700 185.3
[M]+ 364.10178 184.5
[M]- 364.10288 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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