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

3120
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

literature stripe

Patent stripe

patents stripe