CID 11216155

851870-89-8

Structural Information

Molecular Formula
C48H41NP2
SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1CCNCCP5CC6=C(C7=CC=CC=C7C=C6)C8=C(C5)C=CC9=CC=CC=C98)C=CC1=CC=CC=C14
InChI
InChI=1S/C48H41NP2/c1-5-13-41-33(9-1)17-21-37-29-50(30-38-22-18-34-10-2-6-14-42(34)46(38)45(37)41)27-25-49-26-28-51-31-39-23-19-35-11-3-7-15-43(35)47(39)48-40(32-51)24-20-36-12-4-8-16-44(36)48/h1-24,49H,25-32H2
InChIKey
VMLOJVKKOABMEO-UHFFFAOYSA-N
Compound name
2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-N-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

693.2714 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.27868 269.2
[M+Na]+ 716.26062 281.7
[M+NH4]+ 711.30522 276.2
[M+K]+ 732.23456 269.3
[M-H]- 692.26412 277.2
[M+Na-2H]- 714.24607 271.2
[M]+ 693.27085 273.8
[M]- 693.27195 273.8
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

patents stripe