CID 3060757

78239-31-3

Structural Information

Molecular Formula
C17H18N2O
SMILES
C1CC2=CC=CC=C2C1CCNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H18N2O/c20-17(15-5-3-10-18-12-15)19-11-9-14-8-7-13-4-1-2-6-16(13)14/h1-6,10,12,14H,7-9,11H2,(H,19,20)
InChIKey
BWMCGIQHNVMBPP-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 161.8
[M+Na]+ 289.131118 167.4
[M-H]- 265.134624 167.4
[M+NH4]+ 284.175723 179.0
[M+K]+ 305.105058 162.6
[M+H-H2O]+ 249.139160 153.2
[M+HCOO]- 311.140101 183.5
[M+CH3COO]- 325.155751 173.0
[M+Na-2H]- 287.116566 166.3
[M]+ 266.14135142 160.2
[M]- 266.14244858 160.2
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.