CID 3052201

F 1543

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCN(C1)CCNC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C16H18N2O3/c19-15(17-7-10-18-8-3-4-9-18)13-11-12-5-1-2-6-14(12)21-16(13)20/h1-2,5-6,11H,3-4,7-10H2,(H,17,19)
InChIKey
WOZUEHJPNNIRDP-UHFFFAOYSA-N
Compound name
2-oxo-N-(2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.5
[M+Na]+ 309.12096 170.6
[M-H]- 285.12446 171.0
[M+NH4]+ 304.16556 179.6
[M+K]+ 325.09490 167.9
[M+H-H2O]+ 269.12900 156.3
[M+HCOO]- 331.12994 184.7
[M+CH3COO]- 345.14559 201.1
[M+Na-2H]- 307.10641 168.5
[M]+ 286.13119 164.3
[M]- 286.13229 164.3
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

patents stripe