CID 10881419

Piperolactam c

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC
InChI
InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)
InChIKey
GYYIMUXZCUHECT-UHFFFAOYSA-N
Compound name
13,14,15-trimethoxy-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

2
References

6
Patents

309.1001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.6
[M+Na]+ 332.08932 181.5
[M-H]- 308.09282 174.1
[M+NH4]+ 327.13392 188.3
[M+K]+ 348.06326 176.6
[M+H-H2O]+ 292.09736 162.5
[M+HCOO]- 354.09830 189.1
[M+CH3COO]- 368.11395 182.1
[M+Na-2H]- 330.07477 175.2
[M]+ 309.09955 177.5
[M]- 309.10065 177.5
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