CID 30392

20954-13-6

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(CC)CC
InChI
InChI=1S/C24H31N3O3/c1-4-7-17-30-24(28)19-12-14-20(15-13-19)27-22-11-9-8-10-21(22)23(25-27)29-18-16-26(5-2)6-3/h8-15H,4-7,16-18H2,1-3H3
InChIKey
GEGOSYSUUBBOQB-UHFFFAOYSA-N
Compound name
butyl 4-[3-[2-(diethylamino)ethoxy]indazol-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.23654 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.243816 203.3
[M+Na]+ 432.225758 209.1
[M-H]- 408.229264 209.2
[M+NH4]+ 427.270363 214.2
[M+K]+ 448.199698 205.0
[M+H-H2O]+ 392.233800 192.3
[M+HCOO]- 454.234741 224.7
[M+CH3COO]- 468.250391 231.2
[M+Na-2H]- 430.211206 203.9
[M]+ 409.23599142 212.1
[M]- 409.23708858 212.1
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.