CID 5277403

Carbamic acid, [6-amino-4-[[(2e)-3-hydroxy-2-[(methylphenylamino)methyl]-2-propenyl]amino]-5-nitro-2-pyridinyl]-, ethyl ester

Structural Information

Molecular Formula
C19H24N6O5
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NC/C(=C\O)/CN(C)C2=CC=CC=C2)[N+](=O)[O-])N
InChI
InChI=1S/C19H24N6O5/c1-3-30-19(27)23-16-9-15(17(25(28)29)18(20)22-16)21-10-13(12-26)11-24(2)14-7-5-4-6-8-14/h4-9,12,26H,3,10-11H2,1-2H3,(H4,20,21,22,23,27)/b13-12+
InChIKey
QTVUVJIJCUQJER-OUKQBFOZSA-N
Compound name
ethyl N-[6-amino-4-[[(E)-3-hydroxy-2-[(N-methylanilino)methyl]prop-2-enyl]amino]-5-nitro-2-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.18082 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.188096 193.2
[M+Na]+ 439.170038 194.0
[M-H]- 415.173544 197.6
[M+NH4]+ 434.214643 199.1
[M+K]+ 455.143978 188.0
[M+H-H2O]+ 399.178080 186.8
[M+HCOO]- 461.179021 216.7
[M+CH3COO]- 475.194671 229.1
[M+Na-2H]- 437.155486 196.6
[M]+ 416.18027142 190.8
[M]- 416.18136858 190.8
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.