CID 52277

73713-72-1

Structural Information

Molecular Formula
C16H16N2O7
SMILES
C1COCCN1CCOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
InChI
InChI=1S/C16H16N2O7/c19-15(24-8-5-17-3-6-23-7-4-17)13-10-11-9-12(18(21)22)1-2-14(11)25-16(13)20/h1-2,9-10H,3-8H2
InChIKey
ZUWAFMOPGPGPRB-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.09576 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.103036 175.9
[M+Na]+ 371.084978 180.3
[M-H]- 347.088484 182.8
[M+NH4]+ 366.129583 184.1
[M+K]+ 387.058918 176.4
[M+H-H2O]+ 331.093020 170.6
[M+HCOO]- 393.093961 192.9
[M+CH3COO]- 407.109611 204.4
[M+Na-2H]- 369.070426 183.3
[M]+ 348.09521142 176.5
[M]- 348.09630858 176.5
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.