CID 9575503

2-methoxy-n-[[(2e)-2-[(3-methoxy-4-phenoxy-phenyl)methylene]hydrazino]methylidyne-$l^{4}-sulfanyl]aniline

Structural Information

Molecular Formula
C22H21N3O3S
SMILES
COC1=CC=CC=C1NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C22H21N3O3S/c1-26-20-11-7-6-10-19(20)25-29-16-24-23-15-17-12-13-21(22(14-17)27-2)28-18-8-4-3-5-9-18/h3-15,24-25H,1-2H3/b23-15+
InChIKey
ZLVGRNQQDCVZMW-HZHRSRAPSA-N
Compound name
2-methoxy-N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.13037 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13765 203.8
[M+Na]+ 430.11959 212.2
[M-H]- 406.12309 211.1
[M+NH4]+ 425.16419 212.8
[M+K]+ 446.09353 204.5
[M+H-H2O]+ 390.12763 187.5
[M+HCOO]- 452.12857 220.4
[M+CH3COO]- 466.14422 231.3
[M+Na-2H]- 428.10504 205.5
[M]+ 407.12982 202.0
[M]- 407.13092 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.