CID 4368905

Nsc75586

Structural Information

Molecular Formula
C17H12N4O7
SMILES
CC(=O)NC1=C(C=C2C(=C1)C(=O)C3=CC(=C(C=C32)[N+](=O)[O-])NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C17H12N4O7/c1-7(22)18-13-3-11-9(5-15(13)20(25)26)10-6-16(21(27)28)14(19-8(2)23)4-12(10)17(11)24/h3-6H,1-2H3,(H,18,22)(H,19,23)
InChIKey
LBPAVLHBURNBDD-UHFFFAOYSA-N
Compound name
N-(7-acetamido-3,6-dinitro-9-oxofluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07788 181.0
[M+Na]+ 407.05982 185.3
[M-H]- 383.06332 186.6
[M+NH4]+ 402.10442 193.0
[M+K]+ 423.03376 175.1
[M+H-H2O]+ 367.06786 182.6
[M+HCOO]- 429.06880 204.3
[M+CH3COO]- 443.08445 213.7
[M+Na-2H]- 405.04527 188.1
[M]+ 384.07005 179.9
[M]- 384.07115 179.9
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.