CID 5879327

Nsc646650

Structural Information

Molecular Formula
C19H17NO4
SMILES
CCOC(=O)/C=C/N1C2=C(C=C(C=C2)OC)C(=O)C3=CC=CC=C31
InChI
InChI=1S/C19H17NO4/c1-3-24-18(21)10-11-20-16-7-5-4-6-14(16)19(22)15-12-13(23-2)8-9-17(15)20/h4-12H,3H2,1-2H3/b11-10+
InChIKey
APXGUUCNSPKSIG-ZHACJKMWSA-N
Compound name
ethyl (E)-3-(2-methoxy-9-oxoacridin-10-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 173.4
[M+Na]+ 346.104968 183.9
[M-H]- 322.108474 178.1
[M+NH4]+ 341.149573 188.6
[M+K]+ 362.078908 179.1
[M+H-H2O]+ 306.113010 164.7
[M+HCOO]- 368.113951 194.4
[M+CH3COO]- 382.129601 209.2
[M+Na-2H]- 344.090416 179.5
[M]+ 323.11520142 180.4
[M]- 323.11629858 180.4
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.