CID 91208

Brn 0901947

Structural Information

Molecular Formula
C19H23N5O4
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C19H23N5O4/c25-18(21-20-14-17-6-7-19(28-17)24(26)27)15-23-12-10-22(11-13-23)9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,21,25)
InChIKey
RSDHECOYTIQWRA-UHFFFAOYSA-N
Compound name
N-[(5-nitrofuran-2-yl)methylideneamino]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 189.7
[M+Na]+ 408.16424 190.5
[M-H]- 384.16774 197.5
[M+NH4]+ 403.20884 196.8
[M+K]+ 424.13818 183.9
[M+H-H2O]+ 368.17228 182.5
[M+HCOO]- 430.17322 210.7
[M+CH3COO]- 444.18887 217.4
[M+Na-2H]- 406.14969 194.0
[M]+ 385.17447 186.1
[M]- 385.17557 186.1
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.