CID 215742

N-(1-(2-(dimethylamino)ethyl)-1h-indazol-5-yl)-3,4,5-trimethoxybenzamide monohydrochloride

Structural Information

Molecular Formula
C21H26N4O4
SMILES
CN(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C=N1
InChI
InChI=1S/C21H26N4O4/c1-24(2)8-9-25-17-7-6-16(10-15(17)13-22-25)23-21(26)14-11-18(27-3)20(29-5)19(12-14)28-4/h6-7,10-13H,8-9H2,1-5H3,(H,23,26)
InChIKey
RTCBCWLXXIBXEO-UHFFFAOYSA-N
Compound name
N-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20268 195.9
[M+Na]+ 421.18462 203.6
[M-H]- 397.18812 203.2
[M+NH4]+ 416.22922 207.4
[M+K]+ 437.15856 201.2
[M+H-H2O]+ 381.19266 185.5
[M+HCOO]- 443.19360 219.5
[M+CH3COO]- 457.20925 232.4
[M+Na-2H]- 419.17007 197.6
[M]+ 398.19485 205.3
[M]- 398.19595 205.3
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.