CID 5010078

647036-22-4

Structural Information

Molecular Formula
C22H17NO4
SMILES
C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O
InChI
InChI=1S/C22H17NO4/c24-22(25)20-15-5-1-2-7-17(15)23-21-14(4-3-6-16(20)21)10-13-8-9-18-19(11-13)27-12-26-18/h1-2,5,7-11H,3-4,6,12H2,(H,24,25)
InChIKey
UCULWJOGCNNOQC-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11575 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12303 181.9
[M+Na]+ 382.10497 189.1
[M-H]- 358.10847 189.5
[M+NH4]+ 377.14957 194.0
[M+K]+ 398.07891 185.1
[M+H-H2O]+ 342.11301 173.3
[M+HCOO]- 404.11395 194.3
[M+CH3COO]- 418.12960 191.5
[M+Na-2H]- 380.09042 185.1
[M]+ 359.11520 181.3
[M]- 359.11630 181.3
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.