CID 67959982

Methyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate

Structural Information

Molecular Formula
C14H15IN2O3
SMILES
COC(=O)C1=CC2=C(C=C1)N(N=C2I)C3CCCCO3
InChI
InChI=1S/C14H15IN2O3/c1-19-14(18)9-5-6-11-10(8-9)13(15)16-17(11)12-4-2-3-7-20-12/h5-6,8,12H,2-4,7H2,1H3
InChIKey
CTEVZPIJQKJZQI-UHFFFAOYSA-N
Compound name
methyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

386.01273 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02001 164.9
[M+Na]+ 409.00195 166.1
[M-H]- 385.00545 163.2
[M+NH4]+ 404.04655 174.9
[M+K]+ 424.97589 169.8
[M+H-H2O]+ 369.00999 153.0
[M+HCOO]- 431.01093 178.1
[M+CH3COO]- 445.02658 172.4
[M+Na-2H]- 406.98740 156.9
[M]+ 386.01218 163.6
[M]- 386.01328 163.6
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