CID 216072

1-benzyl-6-isopropoxy-5-azaindoline

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC(C)OC1=NC=C2CCN(C2=C1)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O/c1-13(2)20-17-10-16-15(11-18-17)8-9-19(16)12-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3
InChIKey
ZRFUKSAZSAKOSG-UHFFFAOYSA-N
Compound name
1-benzyl-6-propan-2-yloxy-2,3-dihydropyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.2
[M+Na]+ 291.14678 171.3
[M-H]- 267.15028 168.8
[M+NH4]+ 286.19138 180.6
[M+K]+ 307.12072 167.0
[M+H-H2O]+ 251.15482 155.1
[M+HCOO]- 313.15576 183.3
[M+CH3COO]- 327.17141 175.4
[M+Na-2H]- 289.13223 167.2
[M]+ 268.15701 165.0
[M]- 268.15811 165.0
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.