CID 9575498

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

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CCCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C19H23N3O2S/c1-3-4-12-22-25-15-21-20-14-16-10-11-18(19(13-16)23-2)24-17-8-6-5-7-9-17/h5-11,13-14,21-22H,3-4,12H2,1-2H3/b20-14+
InChIKey
QVMLTVSTRWQCQG-XSFVSMFZSA-N
Compound name
N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.1511 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 189.0
[M+Na]+ 380.14032 196.5
[M-H]- 356.14382 193.9
[M+NH4]+ 375.18492 200.4
[M+K]+ 396.11426 190.1
[M+H-H2O]+ 340.14836 173.8
[M+HCOO]- 402.14930 205.3
[M+CH3COO]- 416.16495 224.1
[M+Na-2H]- 378.12577 190.6
[M]+ 357.15055 187.4
[M]- 357.15165 187.4
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.