CID 215744

N-(1-(2-(diethylamino)ethyl)-1h-indazol-5-yl)-3,4,5-trimethoxybenzamide monohydrochloride

Structural Information

Molecular Formula
C23H30N4O4
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C=N1
InChI
InChI=1S/C23H30N4O4/c1-6-26(7-2)10-11-27-19-9-8-18(12-17(19)15-24-27)25-23(28)16-13-20(29-3)22(31-5)21(14-16)30-4/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,25,28)
InChIKey
UJRYHEUQASMYKQ-UHFFFAOYSA-N
Compound name
N-[1-[2-(diethylamino)ethyl]indazol-5-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2267 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.233976 204.9
[M+Na]+ 449.215918 211.7
[M-H]- 425.219424 211.8
[M+NH4]+ 444.260523 215.3
[M+K]+ 465.189858 208.9
[M+H-H2O]+ 409.223960 194.2
[M+HCOO]- 471.224901 227.8
[M+CH3COO]- 485.240551 238.2
[M+Na-2H]- 447.201366 205.6
[M]+ 426.22615142 214.9
[M]- 426.22724858 214.9
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.