CID 6451408

2516-92-9

Structural Information

Molecular Formula
C28H50N2O6
SMILES
CC1(CC(CC(N1[O])(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)[O])(C)C)C
InChI
InChI=1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3
InChIKey
XVJWWMHPPKXKRU-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

510.36688 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.37416 213.2
[M+Na]+ 533.35610 216.8
[M-H]- 509.35960 215.3
[M+NH4]+ 528.40070 225.6
[M+K]+ 549.33004 217.2
[M+H-H2O]+ 493.36414 207.7
[M+HCOO]- 555.36508 221.4
[M+CH3COO]- 569.38073 247.4
[M+Na-2H]- 531.34155 210.5
[M]+ 510.36633 220.4
[M]- 510.36743 220.4
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