CID 115648

63992-24-5

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCN(CC)CCCC(=O)NC1C(CC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-3-25(4-2)16-10-15-22(26)24-23-20-14-9-8-13-19(20)17-21(23)18-11-6-5-7-12-18/h5-9,11-14,21,23H,3-4,10,15-17H2,1-2H3,(H,24,26)
InChIKey
IYBJCWIPQZVYGZ-UHFFFAOYSA-N
Compound name
4-(diethylamino)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2358 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 189.2
[M+Na]+ 373.225018 192.1
[M-H]- 349.228524 196.8
[M+NH4]+ 368.269623 204.7
[M+K]+ 389.198958 187.6
[M+H-H2O]+ 333.233060 180.2
[M+HCOO]- 395.234001 211.5
[M+CH3COO]- 409.249651 223.6
[M+Na-2H]- 371.210466 189.3
[M]+ 350.23525142 190.0
[M]- 350.23634858 190.0
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.