CID 3058670

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide

Structural Information

Molecular Formula
C19H19NO
SMILES
C1CC2=CC3=C(C=C2C1)C(CC3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H19NO/c21-19(13-5-2-1-3-6-13)20-18-10-9-16-11-14-7-4-8-15(14)12-17(16)18/h1-3,5-6,11-12,18H,4,7-10H2,(H,20,21)
InChIKey
NVLVGCAAKUHKAG-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.153946 164.9
[M+Na]+ 300.135888 170.8
[M-H]- 276.139394 173.2
[M+NH4]+ 295.180493 185.9
[M+K]+ 316.109828 165.4
[M+H-H2O]+ 260.143930 158.2
[M+HCOO]- 322.144871 186.3
[M+CH3COO]- 336.160521 176.6
[M+Na-2H]- 298.121336 166.6
[M]+ 277.14612142 162.2
[M]- 277.14721858 162.2
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.