CID 30394

20954-15-8

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCCN(C)C
InChI
InChI=1S/C23H29N3O3/c1-4-5-16-29-23(27)18-11-13-19(14-12-18)26-21-10-7-6-9-20(21)22(24-26)28-17-8-15-25(2)3/h6-7,9-14H,4-5,8,15-17H2,1-3H3
InChIKey
ZNHBGQCKVQVSPG-UHFFFAOYSA-N
Compound name
butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2209 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 198.7
[M+Na]+ 418.21012 205.0
[M-H]- 394.21362 204.8
[M+NH4]+ 413.25472 210.3
[M+K]+ 434.18406 201.2
[M+H-H2O]+ 378.21816 187.9
[M+HCOO]- 440.21910 220.5
[M+CH3COO]- 454.23475 228.3
[M+Na-2H]- 416.19557 199.9
[M]+ 395.22035 207.2
[M]- 395.22145 207.2
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.