CID 327047

Nsc300500

Structural Information

Molecular Formula
C22H19O4P
SMILES
CC12C3=CC=CC=C3OP4(O1)(C(O2)(C5=CC=CC=C5O4)C)C6=CC=CC=C6
InChI
InChI=1S/C22H19O4P/c1-21-17-12-6-8-14-19(17)23-27(26-21,16-10-4-3-5-11-16)22(2,25-21)18-13-7-9-15-20(18)24-27/h3-15H,1-2H3
InChIKey
SERHSHOFCAVZLW-UHFFFAOYSA-N
Compound name
9,11-dimethyl-1-phenyl-2,10,18,19-tetraoxa-1lambda5-phosphapentacyclo[9.7.1.01,9.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10208 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10936 183.5
[M+Na]+ 401.09130 192.6
[M-H]- 377.09480 194.2
[M+NH4]+ 396.13590 201.5
[M+K]+ 417.06524 192.4
[M+H-H2O]+ 361.09934 174.6
[M+HCOO]- 423.10028 202.0
[M+CH3COO]- 437.11593 194.9
[M+Na-2H]- 399.07675 186.9
[M]+ 378.10153 188.3
[M]- 378.10263 188.3
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.