CID 291648

Nsc156987

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=CC(=O)NC2=C1C=CC=C2OCOC3=CC=CC4=C3NC(=O)C=C4C
InChI
InChI=1S/C21H18N2O4/c1-12-9-18(24)22-20-14(12)5-3-7-16(20)26-11-27-17-8-4-6-15-13(2)10-19(25)23-21(15)17/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
NHJUFMCCQMHWBA-UHFFFAOYSA-N
Compound name
4-methyl-8-[(4-methyl-2-oxo-1H-quinolin-8-yl)oxymethoxy]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 185.9
[M+Na]+ 385.11587 197.3
[M-H]- 361.11937 190.2
[M+NH4]+ 380.16047 196.5
[M+K]+ 401.08981 189.9
[M+H-H2O]+ 345.12391 175.5
[M+HCOO]- 407.12485 203.5
[M+CH3COO]- 421.14050 195.9
[M+Na-2H]- 383.10132 192.0
[M]+ 362.12610 189.8
[M]- 362.12720 189.8
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

No patent data available for this compound.