CID 9578582

1-piperidineacetic acid, (2-bromo-3-(5-nitro-2-furyl)allylidene)hydrazide, monohydrochloride

Structural Information

Molecular Formula
C14H17BrN4O4
SMILES
C1CCN(CC1)CC(=O)N/N=C/C(=C/C2=CC=C(O2)[N+](=O)[O-])/Br
InChI
InChI=1S/C14H17BrN4O4/c15-11(8-12-4-5-14(23-12)19(21)22)9-16-17-13(20)10-18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10H2,(H,17,20)/b11-8-,16-9+
InChIKey
UZAAHXHOTQAOCS-GCBMJNBHSA-N
Compound name
N-[(E)-[(Z)-2-bromo-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.04333 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05061 183.4
[M+Na]+ 407.03255 187.7
[M-H]- 383.03605 191.5
[M+NH4]+ 402.07715 196.2
[M+K]+ 423.00649 173.9
[M+H-H2O]+ 367.04059 183.6
[M+HCOO]- 429.04153 202.7
[M+CH3COO]- 443.05718 210.2
[M+Na-2H]- 405.01800 187.6
[M]+ 384.04278 197.7
[M]- 384.04388 197.7
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.