CID 68509823

Dtxsid701019687

Structural Information

Molecular Formula
C40H68N2O4
SMILES
CCCCCCCCCCCC(=O)OCC(C)(C)C=NC1=CC=C(C=C1)N=CC(C)(C)COC(=O)CCCCCCCCCCC
InChI
InChI=1S/C40H68N2O4/c1-7-9-11-13-15-17-19-21-23-25-37(43)45-33-39(3,4)31-41-35-27-29-36(30-28-35)42-32-40(5,6)34-46-38(44)26-24-22-20-18-16-14-12-10-8-2/h27-32H,7-26,33-34H2,1-6H3
InChIKey
YIDAJHZSLYLUJW-UHFFFAOYSA-N
Compound name
[3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

640.5179 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.52518 256.2
[M+Na]+ 663.50712 268.4
[M-H]- 639.51062 252.7
[M+NH4]+ 658.55172 265.1
[M+K]+ 679.48106 267.2
[M+H-H2O]+ 623.51516 255.1
[M+HCOO]- 685.51610 269.5
[M+CH3COO]- 699.53175 282.6
[M+Na-2H]- 661.49257 243.4
[M]+ 640.51735 257.5
[M]- 640.51845 257.5
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