CID 9575497

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

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C18H21N3O2S/c1-3-11-21-24-14-20-19-13-15-9-10-17(18(12-15)22-2)23-16-7-5-4-6-8-16/h4-10,12-13,20-21H,3,11H2,1-2H3/b19-13+
InChIKey
KDQDFOHQRNDYTF-CPNJWEJPSA-N
Compound name
N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.13544 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 185.4
[M+Na]+ 366.12466 193.4
[M-H]- 342.12816 190.5
[M+NH4]+ 361.16926 197.4
[M+K]+ 382.09860 187.1
[M+H-H2O]+ 326.13270 170.4
[M+HCOO]- 388.13364 202.0
[M+CH3COO]- 402.14929 221.4
[M+Na-2H]- 364.11011 187.4
[M]+ 343.13489 183.5
[M]- 343.13599 183.5
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.