CID 13750327

100443-95-6

Structural Information

Molecular Formula
C32H26N2O4
SMILES
CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)OCC(C)C)C5=C2C1=C(C=C5)C#N
InChI
InChI=1S/C32H26N2O4/c1-17(2)15-37-31(35)25-11-9-23-22-8-6-20(14-34)28-26(32(36)38-16-18(3)4)12-10-24(30(22)28)21-7-5-19(13-33)27(25)29(21)23/h5-12,17-18H,15-16H2,1-4H3
InChIKey
AYQRFGNDSMYZEG-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 4,10-dicyanoperylene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

351
Patents

502.18927 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.19655 231.0
[M+Na]+ 525.17849 241.6
[M+NH4]+ 520.22309 231.0
[M+K]+ 541.15243 228.7
[M-H]- 501.18199 222.1
[M+Na-2H]- 523.16394 227.2
[M]+ 502.18872 229.0
[M]- 502.18982 229.0
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