CID 118226

Einecs 252-466-1

Structural Information

Molecular Formula
C22H17NO5
SMILES
CC(CN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=CC=CC=C5O4)OC)C1=O)O
InChI
InChI=1S/C22H17NO5/c1-11(24)10-23-21(25)14-8-7-13-12-5-3-4-6-16(12)28-20-17(27-2)9-15(22(23)26)18(14)19(13)20/h3-9,11,24H,10H2,1-2H3
InChIKey
WEYUBYRKSDCJAH-UHFFFAOYSA-N
Compound name
14-(2-hydroxypropyl)-10-methoxy-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11798 188.2
[M+Na]+ 398.09992 200.3
[M-H]- 374.10342 193.5
[M+NH4]+ 393.14452 201.5
[M+K]+ 414.07386 196.5
[M+H-H2O]+ 358.10796 177.8
[M+HCOO]- 420.10890 204.0
[M+CH3COO]- 434.12455 199.1
[M+Na-2H]- 396.08537 196.8
[M]+ 375.11015 198.8
[M]- 375.11125 198.8
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