CID 3039599

1-phenyl-3-hydroxymethyl-4-methyl-7-azaindole

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=C2C(=CN(C2=NC=C1)C3=CC=CC=C3)CO
InChI
InChI=1S/C15H14N2O/c1-11-7-8-16-15-14(11)12(10-18)9-17(15)13-5-3-2-4-6-13/h2-9,18H,10H2,1H3
InChIKey
NDKUBQZYJRRDRQ-UHFFFAOYSA-N
Compound name
(4-methyl-1-phenylpyrrolo[2,3-b]pyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.3
[M+Na]+ 261.09983 169.7
[M+NH4]+ 256.14443 162.3
[M+K]+ 277.07377 163.2
[M-H]- 237.10333 157.4
[M+Na-2H]- 259.08528 162.5
[M]+ 238.11006 157.0
[M]- 238.11116 157.0
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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No patent data available for this compound.