CID 5277427

Carbamic acid, [6-amino-4-[[2-(4-hydroxyphenyl)-2-oxoethyl]methylamino]-5-nitro-2-pyridinyl]-, ethyl ester

Structural Information

Molecular Formula
C17H19N5O6
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N(C)CC(=O)C2=CC=C(C=C2)O)[N+](=O)[O-])N
InChI
InChI=1S/C17H19N5O6/c1-3-28-17(25)20-14-8-12(15(22(26)27)16(18)19-14)21(2)9-13(24)10-4-6-11(23)7-5-10/h4-8,23H,3,9H2,1-2H3,(H3,18,19,20,25)
InChIKey
YNZBMPGGJWMZCH-UHFFFAOYSA-N
Compound name
ethyl N-[6-amino-4-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-5-nitropyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14082 185.4
[M+Na]+ 412.12276 188.6
[M-H]- 388.12626 190.6
[M+NH4]+ 407.16736 192.8
[M+K]+ 428.09670 183.4
[M+H-H2O]+ 372.13080 179.7
[M+HCOO]- 434.13174 208.7
[M+CH3COO]- 448.14739 222.1
[M+Na-2H]- 410.10821 188.6
[M]+ 389.13299 184.9
[M]- 389.13409 184.9
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.