CID 68699

Moxaprindine

Structural Information

Molecular Formula
C23H32N2O
SMILES
CCN(CC)CCCN(C1CC2=CC=CC=C2C1OC)C3=CC=CC=C3
InChI
InChI=1S/C23H32N2O/c1-4-24(5-2)16-11-17-25(20-13-7-6-8-14-20)22-18-19-12-9-10-15-21(19)23(22)26-3/h6-10,12-15,22-23H,4-5,11,16-18H2,1-3H3
InChIKey
QQGGXAOUSKREAE-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

69
Patents

352.25146 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.258736 190.5
[M+Na]+ 375.240678 193.4
[M-H]- 351.244184 199.3
[M+NH4]+ 370.285283 206.6
[M+K]+ 391.214618 190.3
[M+H-H2O]+ 335.248720 180.9
[M+HCOO]- 397.249661 214.0
[M+CH3COO]- 411.265311 227.4
[M+Na-2H]- 373.226126 190.9
[M]+ 352.25091142 193.8
[M]- 352.25200858 193.8
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