CID 5386311

Nsc606800

Structural Information

Molecular Formula
C13H11N3O5
SMILES
C\1C2C(=O)NC3=CC4=C(C=C3C(=O)N2C/C1=N\O)OCO4
InChI
InChI=1S/C13H11N3O5/c17-12-9-1-6(15-19)4-16(9)13(18)7-2-10-11(21-5-20-10)3-8(7)14-12/h2-3,9,19H,1,4-5H2,(H,14,17)/b15-6-
InChIKey
BOPUZUQUNVXTQZ-UUASQNMZSA-N
Compound name
(5Z)-5-hydroxyimino-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),10,12(16)-triene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0699 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07718 160.6
[M+Na]+ 312.05912 168.9
[M-H]- 288.06262 166.4
[M+NH4]+ 307.10372 175.8
[M+K]+ 328.03306 169.5
[M+H-H2O]+ 272.06716 154.8
[M+HCOO]- 334.06810 175.1
[M+CH3COO]- 348.08375 171.6
[M+Na-2H]- 310.04457 163.8
[M]+ 289.06935 158.0
[M]- 289.07045 158.0
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.