CID 169550445

Ph-4pacz

Structural Information

Molecular Formula
C28H26NO3P
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)CCCCP(=O)(O)O
InChI
InChI=1S/C28H26NO3P/c30-33(31,32)18-8-7-17-29-27-15-13-23(21-9-3-1-4-10-21)19-25(27)26-20-24(14-16-28(26)29)22-11-5-2-6-12-22/h1-6,9-16,19-20H,7-8,17-18H2,(H2,30,31,32)
InChIKey
JUZXTPFZIJMYBS-UHFFFAOYSA-N
Compound name
4-(3,6-diphenylcarbazol-9-yl)butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

455.16504 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17232 214.9
[M+Na]+ 478.15426 221.2
[M-H]- 454.15776 221.2
[M+NH4]+ 473.19886 224.1
[M+K]+ 494.12820 213.4
[M+H-H2O]+ 438.16230 202.0
[M+HCOO]- 500.16324 235.9
[M+CH3COO]- 514.17889 222.3
[M+Na-2H]- 476.13971 214.2
[M]+ 455.16449 216.6
[M]- 455.16559 216.6
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