CID 3771609

556020-33-8

Structural Information

Molecular Formula
C18H20N2O7S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H20N2O7S/c1-4-19(5-2)28(24,25)14-7-9-16(15(11-14)20(22)23)27-17-8-6-13(12-21)10-18(17)26-3/h6-12H,4-5H2,1-3H3
InChIKey
WHTZJSQDGLZZJQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.09912 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10640 188.7
[M+Na]+ 431.08834 200.0
[M+NH4]+ 426.13294 193.3
[M+K]+ 447.06228 196.5
[M-H]- 407.09184 191.9
[M+Na-2H]- 429.07379 194.3
[M]+ 408.09857 191.4
[M]- 408.09967 191.4
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.