CID 267798

21271-61-4

Structural Information

Molecular Formula
C15H18N6O6S
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])N
InChI
InChI=1S/C15H18N6O6S/c1-2-27-15(22)20-12-7-11(13(21(23)24)14(16)19-12)18-8-9-3-5-10(6-4-9)28(17,25)26/h3-7H,2,8H2,1H3,(H2,17,25,26)(H4,16,18,19,20,22)
InChIKey
MCFHWCXZHNPHHS-UHFFFAOYSA-N
Compound name
ethyl N-[6-amino-5-nitro-4-[(4-sulfamoylphenyl)methylamino]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.10086 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10814 184.1
[M+Na]+ 433.09008 187.4
[M-H]- 409.09358 188.5
[M+NH4]+ 428.13468 190.4
[M+K]+ 449.06402 179.5
[M+H-H2O]+ 393.09812 178.5
[M+HCOO]- 455.09906 203.4
[M+CH3COO]- 469.11471 222.5
[M+Na-2H]- 431.07553 190.6
[M]+ 410.10031 182.4
[M]- 410.10141 182.4
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

patents stripe