CID 9554712

Nsc240424

Structural Information

Molecular Formula
C15H24N3O4PS
SMILES
CCNC(=S)N/N=C(\C1=CC=C(C=C1)OC)/P(=O)(OCC)OCC
InChI
InChI=1S/C15H24N3O4PS/c1-5-16-15(24)18-17-14(23(19,21-6-2)22-7-3)12-8-10-13(20-4)11-9-12/h8-11H,5-7H2,1-4H3,(H2,16,18,24)/b17-14+
InChIKey
OMHFNSMGNOMNSV-SAPNQHFASA-N
Compound name
1-[(E)-[diethoxyphosphoryl-(4-methoxyphenyl)methylidene]amino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12253 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12981 185.4
[M+Na]+ 396.11175 188.1
[M-H]- 372.11525 188.1
[M+NH4]+ 391.15635 197.9
[M+K]+ 412.08569 186.4
[M+H-H2O]+ 356.11979 174.3
[M+HCOO]- 418.12073 210.2
[M+CH3COO]- 432.13638 224.4
[M+Na-2H]- 394.09720 184.5
[M]+ 373.12198 191.7
[M]- 373.12308 191.7
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.