CID 50907229

1260154-75-3

Structural Information

Molecular Formula
C40H60N2P
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2CP(C3CCCCC3)C4CCCCC4)C5=C(C=CC=C5C(C)C)C(C)C
InChI
InChI=1S/C40H60N2P/c1-28(2)34-21-15-22-35(29(3)4)39(34)41-25-26-42(40-36(30(5)6)23-16-24-37(40)31(7)8)38(41)27-43(32-17-11-9-12-18-32)33-19-13-10-14-20-33/h15-16,21-26,28-33H,9-14,17-20,27H2,1-8H3/q+1
InChIKey
ABQNTHRTJAVLSV-UHFFFAOYSA-N
Compound name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]methyl-dicyclohexylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.4494 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.45668 260.2
[M+Na]+ 622.43862 254.4
[M-H]- 598.44212 268.1
[M+NH4]+ 617.48322 260.1
[M+K]+ 638.41256 242.3
[M+H-H2O]+ 582.44666 246.4
[M+HCOO]- 644.44760 267.6
[M+CH3COO]- 658.46325 263.3
[M+Na-2H]- 620.42407 241.1
[M]+ 599.44885 251.2
[M]- 599.44995 251.2
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.