CID 136400204

Copper; oxalic acid; 3-[(e)-[[(e)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate

Structural Information

Molecular Formula
C23H18N4O2S
SMILES
C1=CC=C2C(=C1)C=C(C(=C2)O)/C=N/NC(=S)N/N=C/C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C23H18N4O2S/c28-21-11-17-7-3-1-5-15(17)9-19(21)13-24-26-23(30)27-25-14-20-10-16-6-2-4-8-18(16)12-22(20)29/h1-14,28-29H,(H2,26,27,30)/b24-13+,25-14+
InChIKey
XNSRDIACIPQTBK-GUJRAXHGSA-N
Compound name
1,3-bis[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.11505 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12233 191.1
[M+Na]+ 437.10427 198.1
[M-H]- 413.10777 199.2
[M+NH4]+ 432.14887 202.7
[M+K]+ 453.07821 190.7
[M+H-H2O]+ 397.11231 181.7
[M+HCOO]- 459.11325 211.9
[M+CH3COO]- 473.12890 200.3
[M+Na-2H]- 435.08972 199.2
[M]+ 414.11450 193.3
[M]- 414.11560 193.3
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.