CID 156580839

Trichophycin g

Structural Information

Molecular Formula
C22H33ClO2
SMILES
CC(CCC(C/C(=C\Cl)/CC1=CC=CC=C1)O)CC(C)C(CC=C)O
InChI
InChI=1S/C22H33ClO2/c1-4-8-22(25)18(3)13-17(2)11-12-21(24)15-20(16-23)14-19-9-6-5-7-10-19/h4-7,9-10,16-18,21-22,24-25H,1,8,11-15H2,2-3H3/b20-16-
InChIKey
HJBMZDQTTZVYRL-SILNSSARSA-N
Compound name
(1Z)-2-benzyl-1-chloro-7,9-dimethyltrideca-1,12-diene-4,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.21692 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22420 193.9
[M+Na]+ 387.20614 195.1
[M-H]- 363.20964 192.6
[M+NH4]+ 382.25074 205.5
[M+K]+ 403.18008 188.5
[M+H-H2O]+ 347.21418 187.8
[M+HCOO]- 409.21512 202.6
[M+CH3COO]- 423.23077 214.7
[M+Na-2H]- 385.19159 187.7
[M]+ 364.21637 195.3
[M]- 364.21747 195.3
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

No patent data available for this compound.