CID 13999230

57467-22-8

Structural Information

Molecular Formula
C44H80N2O2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H80N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-45-43(47)41-36-35-37-42(40-41)44(48)46-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3,(H,45,47)(H,46,48)
InChIKey
LIOYMLBYICWSGH-UHFFFAOYSA-N
Compound name
1-N,3-N-dioctadecylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1544
Patents

668.622 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.62928 279.1
[M+Na]+ 691.61122 288.6
[M-H]- 667.61472 265.1
[M+NH4]+ 686.65582 277.9
[M+K]+ 707.58516 287.5
[M+H-H2O]+ 651.61926 277.9
[M+HCOO]- 713.62020 283.5
[M+CH3COO]- 727.63585 287.1
[M+Na-2H]- 689.59667 261.2
[M]+ 668.62145 274.4
[M]- 668.62255 274.4
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