CID 6444894

Brn 1273697

Structural Information

Molecular Formula
C19H18N4O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NN
InChI
InChI=1S/C19H18N4O5/c1-11(24)21-14-5-3-13(4-6-14)18(25)22-15(19(26)23-20)8-12-2-7-16-17(9-12)28-10-27-16/h2-9H,10,20H2,1H3,(H,21,24)(H,22,25)(H,23,26)/b15-8-
InChIKey
GWGFWQSJEBDRHS-NVNXTCNLSA-N
Compound name
4-acetamido-N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.12772 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13500 191.3
[M+Na]+ 405.11694 193.8
[M-H]- 381.12044 199.3
[M+NH4]+ 400.16154 200.5
[M+K]+ 421.09088 193.5
[M+H-H2O]+ 365.12498 182.5
[M+HCOO]- 427.12592 212.1
[M+CH3COO]- 441.14157 227.3
[M+Na-2H]- 403.10239 192.9
[M]+ 382.12717 190.1
[M]- 382.12827 190.1
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.