CID 9570912

Ammonium, (carboxymethyl)trimethyl-, chloride, ((5-nitro-2-furoyl)methylene)hydrazide

Structural Information

Molecular Formula
C11H15N4O5
SMILES
C[N+](C)(C)CC(=O)N/N=C/C(=O)C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O5/c1-15(2,3)7-10(17)13-12-6-8(16)9-4-5-11(20-9)14(18)19/h4-6H,7H2,1-3H3/p+1
InChIKey
AXFNPRWHCXORSX-UHFFFAOYSA-O
Compound name
trimethyl-[2-[(2E)-2-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]hydrazinyl]-2-oxoethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10425 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11153 159.7
[M+Na]+ 306.09347 163.9
[M-H]- 282.09697 166.7
[M+NH4]+ 301.13807 174.7
[M+K]+ 322.06741 155.7
[M+H-H2O]+ 266.10151 159.8
[M+HCOO]- 328.10245 186.9
[M+CH3COO]- 342.11810 196.3
[M+Na-2H]- 304.07892 170.3
[M]+ 283.10370 159.8
[M]- 283.10480 159.8
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.