CID 5277700

Ethyl n-(6-amino-4-chloro-5-nitro-2-pyridyl)-n-(4-sulfamoylphenyl)carbamate

Structural Information

Molecular Formula
C14H14ClN5O6S
SMILES
CCOC(=O)N(C1=CC=C(C=C1)S(=O)(=O)N)C2=NC(=C(C(=C2)Cl)[N+](=O)[O-])N
InChI
InChI=1S/C14H14ClN5O6S/c1-2-26-14(21)19(8-3-5-9(6-4-8)27(17,24)25)11-7-10(15)12(20(22)23)13(16)18-11/h3-7H,2H2,1H3,(H2,16,18)(H2,17,24,25)
InChIKey
YTNVSXNXSHIVNS-UHFFFAOYSA-N
Compound name
ethyl N-(6-amino-4-chloro-5-nitropyridin-2-yl)-N-(4-sulfamoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.03534 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.04262 186.0
[M+Na]+ 438.02456 191.1
[M-H]- 414.02806 192.1
[M+NH4]+ 433.06916 194.0
[M+K]+ 453.99850 183.6
[M+H-H2O]+ 398.03260 182.3
[M+HCOO]- 460.03354 200.8
[M+CH3COO]- 474.04919 220.7
[M+Na-2H]- 436.01001 190.7
[M]+ 415.03479 188.3
[M]- 415.03589 188.3
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.