CID 6444892

Brn 2916020

Structural Information

Molecular Formula
C18H17N5O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NN
InChI
InChI=1S/C18H17N5O5/c1-11(24)20-14-7-5-13(6-8-14)17(25)21-16(18(26)22-19)10-12-3-2-4-15(9-12)23(27)28/h2-10H,19H2,1H3,(H,20,24)(H,21,25)(H,22,26)/b16-10-
InChIKey
ZQHLPFAOPVJFMW-YBEGLDIGSA-N
Compound name
4-acetamido-N-[(Z)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12296 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13024 184.2
[M+Na]+ 406.11218 185.1
[M-H]- 382.11568 189.7
[M+NH4]+ 401.15678 192.2
[M+K]+ 422.08612 178.8
[M+H-H2O]+ 366.12022 178.9
[M+HCOO]- 428.12116 208.7
[M+CH3COO]- 442.13681 220.6
[M+Na-2H]- 404.09763 186.8
[M]+ 383.12241 178.7
[M]- 383.12351 178.7
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.