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]+ 382.212506 194.2
[M+Na]+ 404.194448 200.9
[M-H]- 380.197954 200.5
[M+NH4]+ 399.239053 206.3
[M+K]+ 420.168388 197.3
[M+H-H2O]+ 364.202490 183.6
[M+HCOO]- 426.203431 216.3
[M+CH3COO]- 440.219081 225.4
[M+Na-2H]- 402.179896 195.8
[M]+ 381.20468142 202.3
[M]- 381.20577858 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.