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]+ 351.24308 189.2
[M+Na]+ 373.22502 192.1
[M-H]- 349.22852 196.8
[M+NH4]+ 368.26962 204.7
[M+K]+ 389.19896 187.6
[M+H-H2O]+ 333.23306 180.2
[M+HCOO]- 395.23400 211.5
[M+CH3COO]- 409.24965 223.6
[M+Na-2H]- 371.21047 189.3
[M]+ 350.23525 190.0
[M]- 350.23635 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.