CID 2218

Aprindine

Structural Information

Molecular Formula
C22H30N2
SMILES
CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
InChIKey
NZLBHDRPUJLHCE-UHFFFAOYSA-N
Compound name
N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

316
References

3331
Patents

322.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 182.5
[M+Na]+ 345.23012 185.1
[M-H]- 321.23362 191.1
[M+NH4]+ 340.27472 199.6
[M+K]+ 361.20406 181.5
[M+H-H2O]+ 305.23816 173.0
[M+HCOO]- 367.23910 206.2
[M+CH3COO]- 381.25475 221.4
[M+Na-2H]- 343.21557 184.1
[M]+ 322.24035 183.7
[M]- 322.24145 183.7
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.