CID 6446877

Brn 0842605

Structural Information

Molecular Formula
C25H43N3O
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C(C)(N2CCC=C2)O)/C)/C)C
InChI
InChI=1S/C25H43N3O/c1-22(2)10-8-11-23(3)12-9-13-24(4)14-17-26-18-20-28(21-19-26)25(5,29)27-15-6-7-16-27/h6,10,12,14-15,29H,7-9,11,13,16-21H2,1-5H3/b23-12+,24-14+
InChIKey
GOBIJKUGMLEQLV-GKZLBNLFSA-N
Compound name
1-(2,3-dihydropyrrol-1-yl)-1-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.3406 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.34788 209.5
[M+Na]+ 424.32982 208.3
[M-H]- 400.33332 207.9
[M+NH4]+ 419.37442 217.0
[M+K]+ 440.30376 202.5
[M+H-H2O]+ 384.33786 199.7
[M+HCOO]- 446.33880 216.0
[M+CH3COO]- 460.35445 223.2
[M+Na-2H]- 422.31527 201.7
[M]+ 401.34005 204.4
[M]- 401.34115 204.4
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.