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]+ 278.15395 164.9
[M+Na]+ 300.13589 170.8
[M-H]- 276.13939 173.2
[M+NH4]+ 295.18049 185.9
[M+K]+ 316.10983 165.4
[M+H-H2O]+ 260.14393 158.2
[M+HCOO]- 322.14487 186.3
[M+CH3COO]- 336.16052 176.6
[M+Na-2H]- 298.12134 166.6
[M]+ 277.14612 162.2
[M]- 277.14722 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.