CID 9575499

Benzaldehyde, 3-methoxy-4-phenoxy-, [[(hexylamino)-l4-sulfanylidyne]methyl]hydrazone

Structural Information

Molecular Formula
C21H27N3O2S
SMILES
CCCCCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C21H27N3O2S/c1-3-4-5-9-14-24-27-17-23-22-16-18-12-13-20(21(15-18)25-2)26-19-10-7-6-8-11-19/h6-8,10-13,15-16,23-24H,3-5,9,14H2,1-2H3/b22-16+
InChIKey
GIQMGIIYNOPHCX-CJLVFECKSA-N
Compound name
N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1824 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18968 196.1
[M+Na]+ 408.17162 202.8
[M-H]- 384.17512 200.7
[M+NH4]+ 403.21622 206.5
[M+K]+ 424.14556 196.0
[M+H-H2O]+ 368.17966 180.6
[M+HCOO]- 430.18060 211.8
[M+CH3COO]- 444.19625 229.3
[M+Na-2H]- 406.15707 196.9
[M]+ 385.18185 195.1
[M]- 385.18295 195.1
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.