CID 10337233

Ns00116515

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCN(CC)CCCN(C1CC2=C(C1)C=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O/c1-3-23(4-2)13-8-14-24(20-9-6-5-7-10-20)21-15-18-11-12-22(25)17-19(18)16-21/h5-7,9-12,17,21,25H,3-4,8,13-16H2,1-2H3
InChIKey
LOCYZRRMXVRONA-UHFFFAOYSA-N
Compound name
2-[N-[3-(diethylamino)propyl]anilino]-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 185.3
[M+Na]+ 361.225018 188.3
[M-H]- 337.228524 193.0
[M+NH4]+ 356.269623 201.4
[M+K]+ 377.198958 184.7
[M+H-H2O]+ 321.233060 176.4
[M+HCOO]- 383.234001 207.7
[M+CH3COO]- 397.249651 222.0
[M+Na-2H]- 359.210466 186.0
[M]+ 338.23525142 186.6
[M]- 338.23634858 186.6
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

No patent data available for this compound.