CID 363814

71507-04-5

Structural Information

Molecular Formula
C14H8N2O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H8N2O5/c17-13-7-3-1-2-4-9(7)15-12-8(14(18)19)5-6-10(11(12)13)16(20)21/h1-6H,(H,15,17)(H,18,19)
InChIKey
RZCJSUVWYHPKQD-UHFFFAOYSA-N
Compound name
1-nitro-9-oxo-10H-acridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.04333 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05061 155.0
[M+Na]+ 307.03255 164.3
[M-H]- 283.03605 157.7
[M+NH4]+ 302.07715 169.2
[M+K]+ 323.00649 155.5
[M+H-H2O]+ 267.04059 152.2
[M+HCOO]- 329.04153 175.3
[M+CH3COO]- 343.05718 190.5
[M+Na-2H]- 305.01800 164.9
[M]+ 284.04278 154.9
[M]- 284.04388 154.9
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.