CID 3001330

Ummyqgmtdwdqig-oqllnidssa-

Structural Information

Molecular Formula
C20H18N2O8
SMILES
CC(C)OC1/C(=C/NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O8/c1-10(2)29-20-15(9-21-11-3-5-13(19(25)26)16(23)7-11)18(24)14-8-12(22(27)28)4-6-17(14)30-20/h3-10,20-21,23H,1-2H3,(H,25,26)/b15-9+
InChIKey
UMMYQGMTDWDQIG-OQLLNIDSSA-N
Compound name
2-hydroxy-4-[[(Z)-(6-nitro-4-oxo-2-propan-2-yloxychromen-3-ylidene)methyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.10632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11360 191.6
[M+Na]+ 437.09554 195.3
[M-H]- 413.09904 196.9
[M+NH4]+ 432.14014 198.4
[M+K]+ 453.06948 189.6
[M+H-H2O]+ 397.10358 187.3
[M+HCOO]- 459.10452 208.0
[M+CH3COO]- 473.12017 219.5
[M+Na-2H]- 435.08099 194.4
[M]+ 414.10577 191.0
[M]- 414.10687 191.0
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.