CID 46910531

Pyoxim

Structural Information

Molecular Formula
C17H29N5O3P
SMILES
CCOC(=O)/C(=N/O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)/C#N
InChI
InChI=1S/C17H29N5O3P/c1-2-24-17(23)16(15-18)19-25-26(20-9-3-4-10-20,21-11-5-6-12-21)22-13-7-8-14-22/h2-14H2,1H3/q+1/b19-16+
InChIKey
UPNAYRVTBZMPKB-KNTRCKAVSA-N
Compound name
[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

823
Patents

382.2008 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20808 180.5
[M+Na]+ 405.19002 180.9
[M-H]- 381.19352 182.8
[M+NH4]+ 400.23462 190.4
[M+K]+ 421.16396 174.4
[M+H-H2O]+ 365.19806 163.5
[M+HCOO]- 427.19900 195.7
[M+CH3COO]- 441.21465 219.9
[M+Na-2H]- 403.17547 177.0
[M]+ 382.20025 169.9
[M]- 382.20135 169.9
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

patents stripe