CID 3075717

2-phenyl-3-methylamino-2,3-dihydro-4h-1,3,2-benzoxazaphosphorin-4-one 2-sulfide

Structural Information

Molecular Formula
C14H13N2O2PS
SMILES
CNN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3
InChI
InChI=1S/C14H13N2O2PS/c1-15-16-14(17)12-9-5-6-10-13(12)18-19(16,20)11-7-3-2-4-8-11/h2-10,15H,1H3
InChIKey
UOUMPLBPZAPRDQ-UHFFFAOYSA-N
Compound name
3-(methylamino)-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.04355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05083 162.5
[M+Na]+ 327.03277 171.2
[M-H]- 303.03627 168.3
[M+NH4]+ 322.07737 178.5
[M+K]+ 343.00671 167.5
[M+H-H2O]+ 287.04081 152.0
[M+HCOO]- 349.04175 183.8
[M+CH3COO]- 363.05740 204.1
[M+Na-2H]- 325.01822 165.5
[M]+ 304.04300 163.6
[M]- 304.04410 163.6
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.