CID 138109196

2190525-01-8

Structural Information

Molecular Formula
C15H22IN3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2CC3CC3)I
InChI
InChI=1S/C15H22IN3O2/c1-15(2,3)21-14(20)18-7-6-12-11(9-18)13(16)17-19(12)8-10-4-5-10/h10H,4-9H2,1-3H3
InChIKey
RNDFCXGCIMWTHG-UHFFFAOYSA-N
Compound name
tert-butyl 1-(cyclopropylmethyl)-3-iodo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.07568 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08296 179.9
[M+Na]+ 426.06490 182.1
[M-H]- 402.06840 177.0
[M+NH4]+ 421.10950 185.6
[M+K]+ 442.03884 182.9
[M+H-H2O]+ 386.07294 168.8
[M+HCOO]- 448.07388 189.9
[M+CH3COO]- 462.08953 212.0
[M+Na-2H]- 424.05035 169.8
[M]+ 403.07513 180.5
[M]- 403.07623 180.5
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.