CID 483995

2-(4-methylphenoxy)-5-phenylsulfanyl-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide

Structural Information

Molecular Formula
C19H17N2O2PS
SMILES
CC1=CC=C(C=C1)OP2(=O)NC3=C(N2)C=C(C=C3)SC4=CC=CC=C4
InChI
InChI=1S/C19H17N2O2PS/c1-14-7-9-15(10-8-14)23-24(22)20-18-12-11-17(13-19(18)21-24)25-16-5-3-2-4-6-16/h2-13H,1H3,(H2,20,21,22)
InChIKey
IOHVSKAFAGANKJ-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)-5-phenylsulfanyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.07483 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08211 180.7
[M+Na]+ 391.06405 189.0
[M-H]- 367.06755 185.3
[M+NH4]+ 386.10865 194.4
[M+K]+ 407.03799 181.9
[M+H-H2O]+ 351.07209 169.6
[M+HCOO]- 413.07303 199.3
[M+CH3COO]- 427.08868 190.2
[M+Na-2H]- 389.04950 179.6
[M]+ 368.07428 180.8
[M]- 368.07538 180.8
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.