CID 49819

67367-75-3

Structural Information

Molecular Formula
C24H25NO
SMILES
C#CCN(CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C24H25NO/c1-2-14-25(16-18-8-4-3-5-9-18)17-23(26)24-21-12-6-10-19(21)15-20-11-7-13-22(20)24/h1,3-5,8-9,15H,6-7,10-14,16-17H2
InChIKey
NDTSKNNNOMWJQJ-UHFFFAOYSA-N
Compound name
2-[benzyl(prop-2-ynyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.200876 193.7
[M+Na]+ 366.182818 201.8
[M-H]- 342.186324 199.3
[M+NH4]+ 361.227423 210.0
[M+K]+ 382.156758 190.5
[M+H-H2O]+ 326.190860 179.9
[M+HCOO]- 388.191801 207.9
[M+CH3COO]- 402.207451 201.6
[M+Na-2H]- 364.168266 190.3
[M]+ 343.19305142 187.4
[M]- 343.19414858 187.4
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.