CID 165362802

Qaternium-30

Structural Information

Molecular Formula
C25H46NO3
SMILES
CC(C)CCCCCCCCCC1=CC=C(C=C1)C[N+](CCO)(CCO)CCO
InChI
InChI=1S/C25H46NO3/c1-23(2)10-8-6-4-3-5-7-9-11-24-12-14-25(15-13-24)22-26(16-19-27,17-20-28)18-21-29/h12-15,23,27-29H,3-11,16-22H2,1-2H3/q+1
InChIKey
YFCJZLDBSFSSFU-UHFFFAOYSA-N
Compound name
tris(2-hydroxyethyl)-[[4-(10-methylundecyl)phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

408.34778 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.35506 209.8
[M+Na]+ 431.33700 209.2
[M-H]- 407.34050 208.2
[M+NH4]+ 426.38160 218.8
[M+K]+ 447.31094 198.5
[M+H-H2O]+ 391.34504 204.4
[M+HCOO]- 453.34598 224.5
[M+CH3COO]- 467.36163 220.4
[M+Na-2H]- 429.32245 210.3
[M]+ 408.34723 212.7
[M]- 408.34833 212.7
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.