CID 135461371

159383-33-2

Structural Information

Molecular Formula
C14H14N8O5
SMILES
C1CC(=NC#N)N(C1)CC(=O)N/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H14N8O5/c15-8-16-13-2-1-5-20(13)7-14(23)17-9-18-19-11-4-3-10(21(24)25)6-12(11)22(26)27/h3-4,6,9,19H,1-2,5,7H2,(H,17,18,23)
InChIKey
GCPGMBXSTCXMPZ-UHFFFAOYSA-N
Compound name
2-(2-cyanoiminopyrrolidin-1-yl)-N-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1087 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11598 189.1
[M+Na]+ 397.09792 191.0
[M-H]- 373.10142 193.6
[M+NH4]+ 392.14252 196.5
[M+K]+ 413.07186 181.8
[M+H-H2O]+ 357.10596 179.8
[M+HCOO]- 419.10690 211.6
[M+CH3COO]- 433.12255 223.9
[M+Na-2H]- 395.08337 194.5
[M]+ 374.10815 177.9
[M]- 374.10925 177.9
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.