CID 327419

54864-49-2

Structural Information

Molecular Formula
C16H10N2O6
SMILES
C1C(=O)OC(=O)C12C3C(C4N2N=CC5=CC=CC=C45)C(=O)OC3=O
InChI
InChI=1S/C16H10N2O6/c19-9-5-16(15(22)23-9)11-10(13(20)24-14(11)21)12-8-4-2-1-3-7(8)6-17-18(12)16/h1-4,6,10-12H,5H2
InChIKey
RFTAQWRCVVHXEW-UHFFFAOYSA-N
Compound name
spiro[14-oxa-9,10-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11,3'-oxolane]-2',5',13,15-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0539 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06118 167.6
[M+Na]+ 349.04312 179.3
[M-H]- 325.04662 176.1
[M+NH4]+ 344.08772 187.0
[M+K]+ 365.01706 177.1
[M+H-H2O]+ 309.05116 163.4
[M+HCOO]- 371.05210 182.6
[M+CH3COO]- 385.06775 180.2
[M+Na-2H]- 347.02857 168.4
[M]+ 326.05335 170.7
[M]- 326.05445 170.7
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.