CID 174904

72102-72-8

Structural Information

Molecular Formula
C60H122N7O8
SMILES
CCCCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COC)COCC[N+](CC)(CCO)CCO)N(COC)COCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C60H122N7O8/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49-73-55-64(52-70-4)58-61-59(63-60(62-58)66(54-72-6)57-75-51-46-67(9-3,44-47-68)45-48-69)65(53-71-5)56-74-50-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h68-69H,7-57H2,1-6H3/q+1
InChIKey
OOXDCTKWUQGOBT-UHFFFAOYSA-N
Compound name
2-[[[4,6-bis[icosoxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-ethyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1068.9355 Da
Monoisotopic Mass

19.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1069.9428 329.0
[M+Na]+ 1091.9247 334.5
[M+NH4]+ 1086.9693 334.6
[M+K]+ 1107.8987 335.0
[M-H]- 1067.9282 317.1
[M+Na-2H]- 1089.9102 325.1
[M]+ 1068.9350 328.3
[M]- 1068.9360 328.3
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.