CID 9589117

(diphenylphosphinyl)acetic acid (2-thienylmethylene)hydrazide

Structural Information

Molecular Formula
C19H17N2O2PS
SMILES
C1=CC=C(C=C1)P(=O)(CC(=O)N/N=C/C2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C19H17N2O2PS/c22-19(21-20-14-18-12-7-13-25-18)15-24(23,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)/b20-14+
InChIKey
LQEYCJXUZMEVBL-XSFVSMFZSA-N
Compound name
2-diphenylphosphoryl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.07483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08211 183.9
[M+Na]+ 391.06405 188.6
[M-H]- 367.06755 193.4
[M+NH4]+ 386.10865 198.1
[M+K]+ 407.03799 183.8
[M+H-H2O]+ 351.07209 172.5
[M+HCOO]- 413.07303 211.0
[M+CH3COO]- 427.08868 217.0
[M+Na-2H]- 389.04950 184.1
[M]+ 368.07428 185.5
[M]- 368.07538 185.5
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.