CID 53435781

Fhxnvhgvqiyanj-uhfffaoysa-n

Structural Information

Molecular Formula
C34H73N3O2
SMILES
CCCCCCCCCCCCC(CNCCCNCCCNCC(CCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-25-33(38)31-36-29-23-27-35-28-24-30-37-32-34(39)26-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3
InChIKey
FHXNVHGVQIYANJ-UHFFFAOYSA-N
Compound name
1-[3-[3-(2-hydroxytetradecylamino)propylamino]propylamino]tetradecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.57025 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.577526 275.5
[M+Na]+ 578.559468 281.8
[M-H]- 554.562974 263.1
[M+NH4]+ 573.604073 267.6
[M+K]+ 594.533408 280.2
[M+H-H2O]+ 538.567510 269.8
[M+HCOO]- 600.568451 270.0
[M+CH3COO]- 614.584101 265.0
[M+Na-2H]- 576.544916 255.7
[M]+ 555.56970142 266.0
[M]- 555.57079858 266.0
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.