CID 3081016

Piperolactam a

Structural Information

Molecular Formula
C16H11NO3
SMILES
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)O
InChI
InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
InChIKey
KBGNBPGXVKPRQI-UHFFFAOYSA-N
Compound name
15-hydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

16
Patents

265.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.081156 156.9
[M+Na]+ 288.063098 168.8
[M-H]- 264.066604 160.1
[M+NH4]+ 283.107703 176.6
[M+K]+ 304.037038 162.7
[M+H-H2O]+ 248.071140 150.6
[M+HCOO]- 310.072081 175.6
[M+CH3COO]- 324.087731 169.6
[M+Na-2H]- 286.048546 163.8
[M]+ 265.07333142 160.6
[M]- 265.07442858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe