CID 85832321

Ns00117021

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=C(C=C3)O
InChI
InChI=1S/C22H30N2O/c1-3-23(4-2)14-7-15-24(20-10-12-22(25)13-11-20)21-16-18-8-5-6-9-19(18)17-21/h5-6,8-13,21,25H,3-4,7,14-17H2,1-2H3
InChIKey
NDSJVPYEVPNZKX-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)propyl-(2,3-dihydro-1H-inden-2-yl)amino]phenol
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]+ 339.24308 185.3
[M+Na]+ 361.22502 188.3
[M-H]- 337.22852 193.0
[M+NH4]+ 356.26962 201.4
[M+K]+ 377.19896 184.7
[M+H-H2O]+ 321.23306 176.4
[M+HCOO]- 383.23400 207.7
[M+CH3COO]- 397.24965 222.0
[M+Na-2H]- 359.21047 186.0
[M]+ 338.23525 186.6
[M]- 338.23635 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.