CID 75973

2744-50-5

Structural Information

Molecular Formula
C30H28O4
SMILES
CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)OCC(C)C
InChI
InChI=1S/C30H28O4/c1-17(2)15-33-29(31)25-13-11-23-20-8-6-10-22-26(30(32)34-16-18(3)4)14-12-24(28(20)22)19-7-5-9-21(25)27(19)23/h5-14,17-18H,15-16H2,1-4H3
InChIKey
YLNJGHNUXCVDIX-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) perylene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1699
Patents

452.19876 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20604 214.9
[M+Na]+ 475.18798 220.8
[M-H]- 451.19148 219.8
[M+NH4]+ 470.23258 227.2
[M+K]+ 491.16192 216.3
[M+H-H2O]+ 435.19602 204.1
[M+HCOO]- 497.19696 228.2
[M+CH3COO]- 511.21261 222.5
[M+Na-2H]- 473.17343 216.9
[M]+ 452.19821 224.0
[M]- 452.19931 224.0
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