CID 170854489

Dtxsid201353147

Structural Information

Molecular Formula
C29H57N3O3
SMILES
CC(C)CC(=NCCN(CCN=C(C)CC(C)C)CC(COC(=O)CCCCCC(C)(C)C)O)C
InChI
InChI=1S/C29H57N3O3/c1-23(2)19-25(5)30-15-17-32(18-16-31-26(6)20-24(3)4)21-27(33)22-35-28(34)13-11-10-12-14-29(7,8)9/h23-24,27,33H,10-22H2,1-9H3
InChIKey
HOFVSORLFDGNCJ-UHFFFAOYSA-N
Compound name
[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropyl] 7,7-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

495.44 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.44728 241.4
[M+Na]+ 518.42922 256.4
[M-H]- 494.43272 246.0
[M+NH4]+ 513.47382 254.2
[M+K]+ 534.40316 255.3
[M+H-H2O]+ 478.43726 243.0
[M+HCOO]- 540.43820 237.4
[M+CH3COO]- 554.45385 261.7
[M+Na-2H]- 516.41467 233.0
[M]+ 495.43945 239.3
[M]- 495.44055 239.3
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

No patent data available for this compound.