CID 168009865

9029-12-3

Structural Information

Molecular Formula
C20H34N2O
SMILES
CCC=C(C=CC)C(C)NCC(CNC(C)C(=CC=C)C=C)O
InChI
InChI=1S/C20H34N2O/c1-7-11-18(10-4)16(5)21-14-20(23)15-22-17(6)19(12-8-2)13-9-3/h7-8,10-13,16-17,20-23H,1,4,9,14-15H2,2-3,5-6H3
InChIKey
BPTRANCCDNYULA-UHFFFAOYSA-N
Compound name
1-(3-ethenylhexa-3,5-dien-2-ylamino)-3-(3-prop-1-enylhex-3-en-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

318.26712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.27440 189.4
[M+Na]+ 341.25634 189.3
[M-H]- 317.25984 186.2
[M+NH4]+ 336.30094 202.2
[M+K]+ 357.23028 184.5
[M+H-H2O]+ 301.26438 182.6
[M+HCOO]- 363.26532 205.4
[M+CH3COO]- 377.28097 216.5
[M+Na-2H]- 339.24179 182.7
[M]+ 318.26657 186.8
[M]- 318.26767 186.8
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.