CID 11821060

Carbamic acid, [6-amino-4-[[(2z)-2-(hydroxyimino)-2-(4-methoxyphenyl)ethyl]methylamino]-5-nitro-2-pyridinyl]-, ethyl ester

Structural Information

Molecular Formula
C18H22N6O6
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N(C)C/C(=N\O)/C2=CC=C(C=C2)OC)[N+](=O)[O-])N
InChI
InChI=1S/C18H22N6O6/c1-4-30-18(25)21-15-9-14(16(24(27)28)17(19)20-15)23(2)10-13(22-26)11-5-7-12(29-3)8-6-11/h5-9,26H,4,10H2,1-3H3,(H3,19,20,21,25)/b22-13+
InChIKey
CZYXAMAREJCTMD-LPYMAVHISA-N
Compound name
ethyl N-[6-amino-4-[[(2Z)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]-methylamino]-5-nitro-2-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1601 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16738 192.7
[M+Na]+ 441.14932 195.0
[M-H]- 417.15282 199.0
[M+NH4]+ 436.19392 199.4
[M+K]+ 457.12326 190.7
[M+H-H2O]+ 401.15736 186.2
[M+HCOO]- 463.15830 218.1
[M+CH3COO]- 477.17395 232.0
[M+Na-2H]- 439.13477 196.6
[M]+ 418.15955 193.5
[M]- 418.16065 193.5
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.