CID 30391

Itf 631

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(C)C
InChI
InChI=1S/C22H27N3O3/c1-4-5-15-28-22(26)17-10-12-18(13-11-17)25-20-9-7-6-8-19(20)21(23-25)27-16-14-24(2)3/h6-13H,4-5,14-16H2,1-3H3
InChIKey
VZXXAZKSJMKSPJ-UHFFFAOYSA-N
Compound name
butyl 4-[3-[2-(dimethylamino)ethoxy]indazol-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 194.2
[M+Na]+ 404.19445 200.9
[M-H]- 380.19795 200.5
[M+NH4]+ 399.23905 206.3
[M+K]+ 420.16839 197.3
[M+H-H2O]+ 364.20249 183.6
[M+HCOO]- 426.20343 216.3
[M+CH3COO]- 440.21908 225.4
[M+Na-2H]- 402.17990 195.8
[M]+ 381.20468 202.3
[M]- 381.20578 202.3
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.