CID 12555

Benzydamine

Structural Information

Molecular Formula
C19H23N3O
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
CNBGNNVCVSKAQZ-UHFFFAOYSA-N
Compound name
3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

482
References

38848
Patents

309.1841 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 174.6
[M+Na]+ 332.173318 182.3
[M-H]- 308.176824 180.9
[M+NH4]+ 327.217923 189.8
[M+K]+ 348.147258 177.9
[M+H-H2O]+ 292.181360 164.4
[M+HCOO]- 354.182301 198.3
[M+CH3COO]- 368.197951 212.0
[M+Na-2H]- 330.158766 179.6
[M]+ 309.18355142 180.0
[M]- 309.18464858 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe