CID 317561

57182-93-1

Structural Information

Molecular Formula
C20H17ClN2O3
SMILES
CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O
InChI
InChI=1S/C20H17ClN2O3/c1-2-10-12-7-16-18-13(17(21)11-5-3-4-6-15(11)22-18)8-23(16)19(24)14(12)9-26-20(10)25/h3-7,10,20,25H,2,8-9H2,1H3
InChIKey
NVUCXWARTRYWFI-UHFFFAOYSA-N
Compound name
10-chloro-19-ethyl-18-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.09277 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10005 185.6
[M+Na]+ 391.08199 197.8
[M-H]- 367.08549 190.0
[M+NH4]+ 386.12659 200.6
[M+K]+ 407.05593 191.0
[M+H-H2O]+ 351.09003 177.4
[M+HCOO]- 413.09097 193.9
[M+CH3COO]- 427.10662 195.9
[M+Na-2H]- 389.06744 188.9
[M]+ 368.09222 190.3
[M]- 368.09332 190.3
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

No patent data available for this compound.