CID 6444896

Brn 2911225

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)NN
InChI
InChI=1S/C20H23N5O3/c1-13(26)22-16-8-6-15(7-9-16)19(27)23-18(20(28)24-21)12-14-4-10-17(11-5-14)25(2)3/h4-12H,21H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/b18-12-
InChIKey
SOBQLRLEYDSSKH-PDGQHHTCSA-N
Compound name
4-acetamido-N-[(Z)-1-[4-(dimethylamino)phenyl]-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18008 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 193.1
[M+Na]+ 404.16930 194.6
[M-H]- 380.17280 200.1
[M+NH4]+ 399.21390 202.9
[M+K]+ 420.14324 193.1
[M+H-H2O]+ 364.17734 183.0
[M+HCOO]- 426.17828 217.6
[M+CH3COO]- 440.19393 235.3
[M+Na-2H]- 402.15475 192.2
[M]+ 381.17953 190.4
[M]- 381.18063 190.4
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.