CID 348707

7596-09-0

Structural Information

Molecular Formula
C21H20N4O7
SMILES
CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C21H20N4O7/c1-4-23(5-2)18-11-19-16(12(3)6-20(26)32-19)10-17(18)22-21(27)13-7-14(24(28)29)9-15(8-13)25(30)31/h6-11H,4-5H2,1-3H3,(H,22,27)
InChIKey
GEMNJEVJDBZWPO-UHFFFAOYSA-N
Compound name
N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14048 202.9
[M+Na]+ 463.12242 206.0
[M-H]- 439.12592 211.9
[M+NH4]+ 458.16702 209.1
[M+K]+ 479.09636 197.0
[M+H-H2O]+ 423.13046 200.9
[M+HCOO]- 485.13140 226.0
[M+CH3COO]- 499.14705 228.5
[M+Na-2H]- 461.10787 209.4
[M]+ 440.13265 204.1
[M]- 440.13375 204.1
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.