CID 121816

Sulfamic acid, n,n-dimethyl-, 3-(2-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl)phenyl ester

Structural Information

Molecular Formula
C16H17N5O5S
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)OS(=O)(=O)N(C)C
InChI
InChI=1S/C16H17N5O5S/c1-10-13(9-17)15(22)21(4)16(23)14(10)19-18-11-6-5-7-12(8-11)26-27(24,25)20(2)3/h5-8,22H,1-4H3
InChIKey
WNNSTANUDGOPFP-UHFFFAOYSA-N
Compound name
[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]phenyl] N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.09503 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10231 196.9
[M+Na]+ 414.08425 206.8
[M-H]- 390.08775 204.3
[M+NH4]+ 409.12885 206.4
[M+K]+ 430.05819 205.1
[M+H-H2O]+ 374.09229 180.9
[M+HCOO]- 436.09323 214.2
[M+CH3COO]- 450.10888 238.3
[M+Na-2H]- 412.06970 198.3
[M]+ 391.09448 199.0
[M]- 391.09558 199.0
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.