CID 6447536

Decaprenylamine hydrochloride

Structural Information

Molecular Formula
C50H83N
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CN)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C50H83N/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40,51H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+
InChIKey
HWYSFDPDOSKWGG-CMVHWAPMSA-N
Compound name
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

697.6525 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.65978 266.7
[M+Na]+ 720.64172 281.7
[M-H]- 696.64522 263.7
[M+NH4]+ 715.68632 278.8
[M+K]+ 736.61566 288.2
[M+H-H2O]+ 680.64976 268.9
[M+HCOO]- 742.65070 252.9
[M+CH3COO]- 756.66635 291.9
[M+Na-2H]- 718.62717 256.4
[M]+ 697.65195 262.9
[M]- 697.65305 262.9
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.