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]+ 344.20088 193.7
[M+Na]+ 366.18282 201.8
[M-H]- 342.18632 199.3
[M+NH4]+ 361.22742 210.0
[M+K]+ 382.15676 190.5
[M+H-H2O]+ 326.19086 179.9
[M+HCOO]- 388.19180 207.9
[M+CH3COO]- 402.20745 201.6
[M+Na-2H]- 364.16827 190.3
[M]+ 343.19305 187.4
[M]- 343.19415 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.