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 169.1
[M+Na]+ 313.17608 177.8
[M-H]- 289.17958 173.4
[M+NH4]+ 308.22068 186.0
[M+K]+ 329.15002 170.3
[M+H-H2O]+ 273.18412 164.8
[M+HCOO]- 335.18506 189.2
[M+CH3COO]- 349.20071 200.3
[M+Na-2H]- 311.16153 178.4
[M]+ 290.18631 173.7
[M]- 290.18741 173.7
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.