CID 3495344

1h-isoindole-1,3(2h)-dione, 2-octadecyl-

Structural Information

Molecular Formula
C26H41NO2
SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey
BCZUGMNWRQGHFP-UHFFFAOYSA-N
Compound name
2-octadecylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

399.31372 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.32100 207.6
[M+Na]+ 422.30294 211.0
[M-H]- 398.30644 208.2
[M+NH4]+ 417.34754 220.5
[M+K]+ 438.27688 204.2
[M+H-H2O]+ 382.31098 198.6
[M+HCOO]- 444.31192 224.9
[M+CH3COO]- 458.32757 228.2
[M+Na-2H]- 420.28839 204.1
[M]+ 399.31317 214.6
[M]- 399.31427 214.6
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