CID 91206

Brn 0896702

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CN1CCN(CC1)CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H19N5O4/c1-16-6-8-17(9-7-16)5-4-12(19)15-14-10-11-2-3-13(22-11)18(20)21/h2-3,10H,4-9H2,1H3,(H,15,19)
InChIKey
ZLHXMPGUFBZWDX-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1437 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 170.1
[M+Na]+ 332.13292 172.8
[M-H]- 308.13642 175.4
[M+NH4]+ 327.17752 181.2
[M+K]+ 348.10686 168.0
[M+H-H2O]+ 292.14096 164.9
[M+HCOO]- 354.14190 192.0
[M+CH3COO]- 368.15755 203.4
[M+Na-2H]- 330.11837 175.2
[M]+ 309.14315 167.1
[M]- 309.14425 167.1
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.