CID 9631356

4-(2-(2-pyrazinylcarbonyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C21H18N4O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C21H18N4O4/c1-2-28-17-9-5-16(6-10-17)21(27)29-18-7-3-15(4-8-18)13-24-25-20(26)19-14-22-11-12-23-19/h3-14H,2H2,1H3,(H,25,26)/b24-13+
InChIKey
YISUFGATLRYHBO-ZMOGYAJESA-N
Compound name
[4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14008 191.4
[M+Na]+ 413.12202 196.3
[M-H]- 389.12552 199.4
[M+NH4]+ 408.16662 198.8
[M+K]+ 429.09596 192.4
[M+H-H2O]+ 373.13006 178.8
[M+HCOO]- 435.13100 214.7
[M+CH3COO]- 449.14665 224.8
[M+Na-2H]- 411.10747 196.4
[M]+ 390.13225 194.1
[M]- 390.13335 194.1
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.