CID 25136531

H27360

Structural Information

Molecular Formula
C27H39NP2
SMILES
CC(C)P(CC1=CC=CC2=C1N=C3C(=C2)C=CC=C3CP(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C27H39NP2/c1-18(2)29(19(3)4)16-24-13-9-11-22-15-23-12-10-14-25(27(23)28-26(22)24)17-30(20(5)6)21(7)8/h9-15,18-21H,16-17H2,1-8H3
InChIKey
YXTJIJKGZFUNGW-UHFFFAOYSA-N
Compound name
[5-[di(propan-2-yl)phosphanylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

439.25577 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26305 222.9
[M+Na]+ 462.24499 225.0
[M-H]- 438.24849 222.8
[M+NH4]+ 457.28959 233.5
[M+K]+ 478.21893 220.3
[M+H-H2O]+ 422.25303 208.8
[M+HCOO]- 484.25397 243.9
[M+CH3COO]- 498.26962 244.4
[M+Na-2H]- 460.23044 210.5
[M]+ 439.25522 227.1
[M]- 439.25632 227.1
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