CID 6444898

Brn 2909277

Structural Information

Molecular Formula
C19H20N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NN
InChI
InChI=1S/C19H20N4O4/c1-12(24)21-15-7-5-14(6-8-15)18(25)22-17(19(26)23-20)11-13-3-9-16(27-2)10-4-13/h3-11H,20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/b17-11-
InChIKey
VAPQUYAAPQXKPX-BOPFTXTBSA-N
Compound name
4-acetamido-N-[(Z)-3-hydrazinyl-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14847 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 187.3
[M+Na]+ 391.13769 189.7
[M-H]- 367.14119 193.0
[M+NH4]+ 386.18229 197.2
[M+K]+ 407.11163 187.4
[M+H-H2O]+ 351.14573 177.6
[M+HCOO]- 413.14667 210.9
[M+CH3COO]- 427.16232 226.1
[M+Na-2H]- 389.12314 187.3
[M]+ 368.14792 185.0
[M]- 368.14902 185.0
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.