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]+ 349.10304 175.9
[M+Na]+ 371.08498 180.3
[M-H]- 347.08848 182.8
[M+NH4]+ 366.12958 184.1
[M+K]+ 387.05892 176.4
[M+H-H2O]+ 331.09302 170.6
[M+HCOO]- 393.09396 192.9
[M+CH3COO]- 407.10961 204.4
[M+Na-2H]- 369.07043 183.3
[M]+ 348.09521 176.5
[M]- 348.09631 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.