CID 53270

Vufb 10,052

Structural Information

Molecular Formula
C24H30N2O
SMILES
CC(C)N(CC1=CC=CC=C1)CC(=O)NC2CCC3=C2C=C4CCCC4=C3
InChI
InChI=1S/C24H30N2O/c1-17(2)26(15-18-7-4-3-5-8-18)16-24(27)25-23-12-11-21-13-19-9-6-10-20(19)14-22(21)23/h3-5,7-8,13-14,17,23H,6,9-12,15-16H2,1-2H3,(H,25,27)
InChIKey
SJUSKYDNNZRERY-UHFFFAOYSA-N
Compound name
2-[benzyl(propan-2-yl)amino]-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 191.6
[M+Na]+ 385.22502 193.8
[M-H]- 361.22852 200.1
[M+NH4]+ 380.26962 209.1
[M+K]+ 401.19896 189.5
[M+H-H2O]+ 345.23306 183.6
[M+HCOO]- 407.23400 211.5
[M+CH3COO]- 421.24965 225.4
[M+Na-2H]- 383.21047 189.4
[M]+ 362.23525 190.3
[M]- 362.23635 190.3
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.