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]+ 410.24382 202.1
[M+Na]+ 432.22576 214.6
[M+NH4]+ 427.27036 207.9
[M+K]+ 448.19970 208.4
[M-H]- 408.22926 205.4
[M+Na-2H]- 430.21121 208.1
[M]+ 409.23599 204.7
[M]- 409.23709 204.7
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.