CID 93315

Acequinocyl

Structural Information

Molecular Formula
C24H32O4
SMILES
CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C
InChI
InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
InChIKey
QDRXWCAVUNHOGA-UHFFFAOYSA-N
Compound name
(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

22910
Patents

384.23007 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23735 196.2
[M+Na]+ 407.21929 201.3
[M-H]- 383.22279 199.2
[M+NH4]+ 402.26389 209.3
[M+K]+ 423.19323 196.5
[M+H-H2O]+ 367.22733 188.0
[M+HCOO]- 429.22827 214.3
[M+CH3COO]- 443.24392 224.7
[M+Na-2H]- 405.20474 194.8
[M]+ 384.22952 203.1
[M]- 384.23062 203.1
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