CID 45055050

765904-99-2

Structural Information

Molecular Formula
C21H17N3O5
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OCC(=O)O
InChI
InChI=1S/C21H17N3O5/c25-19(26)13-29-16-10-8-14(9-11-16)12-22-24-21(28)20(27)23-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,23,27)(H,24,28)(H,25,26)/b22-12+
InChIKey
PHNRXRDXJPORPN-WSDLNYQXSA-N
Compound name
2-[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.11682 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12410 188.0
[M+Na]+ 414.10604 191.5
[M-H]- 390.10954 194.9
[M+NH4]+ 409.15064 198.2
[M+K]+ 430.07998 188.6
[M+H-H2O]+ 374.11408 178.0
[M+HCOO]- 436.11502 211.3
[M+CH3COO]- 450.13067 226.2
[M+Na-2H]- 412.09149 192.6
[M]+ 391.11627 188.9
[M]- 391.11737 188.9
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.