CID 49758972

144657-65-8

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 164.0
[M+Na]+ 298.15262 175.2
[M+NH4]+ 293.19722 170.6
[M+K]+ 314.12656 172.2
[M-H]- 274.15612 164.5
[M+Na-2H]- 296.13807 168.9
[M]+ 275.16285 165.6
[M]- 275.16395 165.6
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