CID 6434916

Brn 3000934

Structural Information

Molecular Formula
C27H37N
SMILES
CC(=CCC/C(=C/CC/C(=C/CN(C)CC1=CC=CC2=CC=CC=C21)/C)/C)C
InChI
InChI=1S/C27H37N/c1-22(2)11-8-12-23(3)13-9-14-24(4)19-20-28(5)21-26-17-10-16-25-15-6-7-18-27(25)26/h6-7,10-11,13,15-19H,8-9,12,14,20-21H2,1-5H3/b23-13+,24-19+
InChIKey
XCXNBOKXHRHHAD-JUDCTDMSSA-N
Compound name
(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2926 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.29988 202.5
[M+Na]+ 398.28182 203.9
[M-H]- 374.28532 205.8
[M+NH4]+ 393.32642 215.6
[M+K]+ 414.25576 197.8
[M+H-H2O]+ 358.28986 193.6
[M+HCOO]- 420.29080 219.7
[M+CH3COO]- 434.30645 230.1
[M+Na-2H]- 396.26727 199.2
[M]+ 375.29205 204.0
[M]- 375.29315 204.0
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

patents stripe