CID 49758972

1-boc-3-[(dimethylamino)methyl]-7-azaindole

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₂

SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)CN(C)C

InChI

InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-10-11(9-17(4)5)12-7-6-8-16-13(12)18/h6-8,10H,9H2,1-5H3

InChIKey

ZNJZRJCULHGHCM-UHFFFAOYSA-N

Compound name

tert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 275.1634 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.170676	166.2
[M+Na]+	298.152618	175.0
[M-H]-	274.156124	170.3
[M+NH4]+	293.197223	183.7
[M+K]+	314.126558	173.4
[M+H-H2O]+	258.160660	158.7
[M+HCOO]-	320.161601	187.8
[M+CH3COO]-	334.177251	204.8
[M+Na-2H]-	296.138066	170.9
[M]+	275.16285142	172.4
[M]-	275.16394858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe