CID 448904

(4e,8e,12z,16z)-n,n,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine

Structural Information

Molecular Formula
C29H51N
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCCN(C)C)/C)/C)C
InChI
InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+
InChIKey
OBYAAZRQFIVRJS-GUUMBNHASA-N
Compound name
(4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

413.40216 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.40944 220.7
[M+Na]+ 436.39138 218.8
[M-H]- 412.39488 218.9
[M+NH4]+ 431.43598 230.9
[M+K]+ 452.36532 213.2
[M+H-H2O]+ 396.39942 212.9
[M+HCOO]- 458.40036 224.2
[M+CH3COO]- 472.41601 240.5
[M+Na-2H]- 434.37683 209.2
[M]+ 413.40161 224.1
[M]- 413.40271 224.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe