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

41
Patents

275.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 166.2
[M+Na]+ 298.15262 175.0
[M-H]- 274.15612 170.3
[M+NH4]+ 293.19722 183.7
[M+K]+ 314.12656 173.4
[M+H-H2O]+ 258.16066 158.7
[M+HCOO]- 320.16160 187.8
[M+CH3COO]- 334.17725 204.8
[M+Na-2H]- 296.13807 170.9
[M]+ 275.16285 172.4
[M]- 275.16395 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe