CID 9571179

Pd165750

Structural Information

Molecular Formula
C22H26N4O4S
SMILES
CC(SC(C(=O)N/N=C/C1=CC(=CC=C1)OC)C)C(=O)N/N=C/C2=CC(=CC=C2)OC
InChI
InChI=1S/C22H26N4O4S/c1-15(21(27)25-23-13-17-7-5-9-19(11-17)29-3)31-16(2)22(28)26-24-14-18-8-6-10-20(12-18)30-4/h5-16H,1-4H3,(H,25,27)(H,26,28)/b23-13+,24-14+
InChIKey
RGOGHTJKUCHEDX-RNIAWFEPSA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[1-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.16748 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17476 207.6
[M+Na]+ 465.15670 209.1
[M-H]- 441.16020 215.5
[M+NH4]+ 460.20130 216.5
[M+K]+ 481.13064 206.5
[M+H-H2O]+ 425.16474 196.6
[M+HCOO]- 487.16568 228.2
[M+CH3COO]- 501.18133 242.8
[M+Na-2H]- 463.14215 206.7
[M]+ 442.16693 213.0
[M]- 442.16803 213.0
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.