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]+ 363.243076 191.6
[M+Na]+ 385.225018 193.8
[M-H]- 361.228524 200.1
[M+NH4]+ 380.269623 209.1
[M+K]+ 401.198958 189.5
[M+H-H2O]+ 345.233060 183.6
[M+HCOO]- 407.234001 211.5
[M+CH3COO]- 421.249651 225.4
[M+Na-2H]- 383.210466 189.4
[M]+ 362.23525142 190.3
[M]- 362.23634858 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.