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]+ 324.12303 173.4
[M+Na]+ 346.10497 183.9
[M-H]- 322.10847 178.1
[M+NH4]+ 341.14957 188.6
[M+K]+ 362.07891 179.1
[M+H-H2O]+ 306.11301 164.7
[M+HCOO]- 368.11395 194.4
[M+CH3COO]- 382.12960 209.2
[M+Na-2H]- 344.09042 179.5
[M]+ 323.11520 180.4
[M]- 323.11630 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.