CID 493433

5-phenyl-5h-pyrano[2,3-d

Structural Information

Molecular Formula
C15H10N4O5
SMILES
C1=CC=C(C=C1)C2C3=C(NC(=O)NC3=O)OC4=C2C(=O)NC(=O)N4
InChI
InChI=1S/C15H10N4O5/c20-10-8-7(6-4-2-1-3-5-6)9-11(21)17-15(23)19-13(9)24-12(8)18-14(22)16-10/h1-5,7H,(H2,16,18,20,22)(H2,17,19,21,23)
InChIKey
TWQMGAPWJLSJTJ-UHFFFAOYSA-N
Compound name
9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11,13-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.06512 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07240 174.8
[M+Na]+ 349.05434 186.7
[M-H]- 325.05784 174.9
[M+NH4]+ 344.09894 181.2
[M+K]+ 365.02828 179.0
[M+H-H2O]+ 309.06238 164.7
[M+HCOO]- 371.06332 185.5
[M+CH3COO]- 385.07897 183.5
[M+Na-2H]- 347.03979 181.4
[M]+ 326.06457 172.4
[M]- 326.06567 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.