CID 11070880

Dtxsid501138041

Structural Information

Molecular Formula
C26H48N4O4
SMILES
CC1(CC(CC(N1[O])(C)C)N(CCCCCCN(C=O)C2CC(N(C(C2)(C)C)[O])(C)C)C=O)C
InChI
InChI=1S/C26H48N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22H,9-18H2,1-8H3
InChIKey
ULHALNOQUAOLTI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

480.36755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.37483 204.8
[M+Na]+ 503.35677 208.4
[M-H]- 479.36027 209.6
[M+NH4]+ 498.40137 219.0
[M+K]+ 519.33071 209.6
[M+H-H2O]+ 463.36481 198.5
[M+HCOO]- 525.36575 218.1
[M+CH3COO]- 539.38140 253.6
[M+Na-2H]- 501.34222 204.4
[M]+ 480.36700 210.6
[M]- 480.36810 210.6
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