CID 3088918

Sr 44699 a

Structural Information

Molecular Formula
C24H26INO2
SMILES
CN(C)CCCC(COC(=O)C1=CC=C(C=C1)I)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H26INO2/c1-26(2)16-6-9-20(17-28-24(27)19-12-14-21(25)15-13-19)23-11-5-8-18-7-3-4-10-22(18)23/h3-5,7-8,10-15,20H,6,9,16-17H2,1-2H3
InChIKey
ICFPXDZMFDZYRQ-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 4-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.10083 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.10811 205.2
[M+Na]+ 510.09005 201.8
[M-H]- 486.09355 204.8
[M+NH4]+ 505.13465 212.8
[M+K]+ 526.06399 203.6
[M+H-H2O]+ 470.09809 191.4
[M+HCOO]- 532.09903 220.1
[M+CH3COO]- 546.11468 232.7
[M+Na-2H]- 508.07550 194.4
[M]+ 487.10028 205.1
[M]- 487.10138 205.1
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

No patent data available for this compound.