CID 6446876

Brn 0936345

Structural Information

Molecular Formula
C23H36N4
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C2=NC=CC=N2)/C)/C)C
InChI
InChI=1S/C23H36N4/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-15-26-16-18-27(19-17-26)23-24-13-7-14-25-23/h7-8,10,12-14H,5-6,9,11,15-19H2,1-4H3/b21-10+,22-12+
InChIKey
ZXAITSKBYKBVRJ-KZVLYIKRSA-N
Compound name
2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.294 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.30128 198.8
[M+Na]+ 391.28322 199.7
[M-H]- 367.28672 197.2
[M+NH4]+ 386.32782 205.0
[M+K]+ 407.25716 193.1
[M+H-H2O]+ 351.29126 186.8
[M+HCOO]- 413.29220 208.0
[M+CH3COO]- 427.30785 219.9
[M+Na-2H]- 389.26867 195.2
[M]+ 368.29345 195.0
[M]- 368.29455 195.0
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.