CID 71310738

144866-90-0

Structural Information

Molecular Formula
C16H24N3O2
SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C[N+](C)(C)C
InChI
InChI=1S/C16H24N3O2/c1-16(2,3)21-15(20)18-10-12(11-19(4,5)6)13-8-7-9-17-14(13)18/h7-10H,11H2,1-6H3/q+1
InChIKey
KMUGGRUUANMQDB-UHFFFAOYSA-N
Compound name
trimethyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18686 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19414 165.4
[M+Na]+ 313.17608 178.7
[M+NH4]+ 308.22068 173.2
[M+K]+ 329.15002 176.3
[M-H]- 289.17958 167.5
[M+Na-2H]- 311.16153 171.8
[M]+ 290.18631 168.3
[M]- 290.18741 168.3
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

No patent data available for this compound.