CID 135599763

Brn 4210009

Structural Information

Molecular Formula
C16H17N5O5
SMILES
CCOC1=CC=C(C=C1)N=C(/C(=N/N=C/C2=CC=C(O2)[N+](=O)[O-])/C)NO
InChI
InChI=1S/C16H17N5O5/c1-3-25-13-6-4-12(5-7-13)18-16(20-22)11(2)19-17-10-14-8-9-15(26-14)21(23)24/h4-10,22H,3H2,1-2H3,(H,18,20)/b17-10+,19-11+
InChIKey
BRQSKLCQNUJXLK-JKQIVKDKSA-N
Compound name
(2E)-N'-(4-ethoxyphenyl)-N-hydroxy-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12296 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13024 182.1
[M+Na]+ 382.11218 184.7
[M-H]- 358.11568 191.8
[M+NH4]+ 377.15678 193.6
[M+K]+ 398.08612 180.6
[M+H-H2O]+ 342.12022 176.6
[M+HCOO]- 404.12116 212.3
[M+CH3COO]- 418.13681 219.2
[M+Na-2H]- 380.09763 188.4
[M]+ 359.12241 183.5
[M]- 359.12351 183.5
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.