CID 11821074

Ethyl n-[4-amino-6-[[(2e)-2-(carbamoylhydrazono)propyl]amino]-5-nitro-2-pyridyl]carbamate

Structural Information

Molecular Formula
C12H18N8O5
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])NC/C(=N/NC(=O)N)/C
InChI
InChI=1S/C12H18N8O5/c1-3-25-12(22)17-8-4-7(13)9(20(23)24)10(16-8)15-5-6(2)18-19-11(14)21/h4H,3,5H2,1-2H3,(H3,14,19,21)(H4,13,15,16,17,22)/b18-6+
InChIKey
ROMQFLLTEDQXID-NGYBGAFCSA-N
Compound name
ethyl N-[4-amino-6-[[(2E)-2-(carbamoylhydrazinylidene)propyl]amino]-5-nitropyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14728 171.3
[M+Na]+ 377.12922 173.5
[M-H]- 353.13272 174.3
[M+NH4]+ 372.17382 180.0
[M+K]+ 393.10316 169.7
[M+H-H2O]+ 337.13726 165.7
[M+HCOO]- 399.13820 198.7
[M+CH3COO]- 413.15385 223.4
[M+Na-2H]- 375.11467 175.9
[M]+ 354.13945 167.4
[M]- 354.14055 167.4
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

No patent data available for this compound.