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 152.9
[M+Na]+ 261.09983 163.9
[M-H]- 237.10333 157.7
[M+NH4]+ 256.14443 170.5
[M+K]+ 277.07377 158.2
[M+H-H2O]+ 221.10787 144.9
[M+HCOO]- 283.10881 175.1
[M+CH3COO]- 297.12446 166.0
[M+Na-2H]- 259.08528 159.1
[M]+ 238.11006 155.2
[M]- 238.11116 155.2
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

No patent data available for this compound.