CID 168266261

(e)-3-[[(1s,2s)-2-[[(e)-2-acetyl-3-hydroxybut-2-enylidene]amino]cyclohexyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CC(=C(C=NC1CCCCC1N=CC(=C(C)O)C(=O)C)C(=O)C)O
InChI
InChI=1S/C18H26N2O4/c1-11(21)15(12(2)22)9-19-17-7-5-6-8-18(17)20-10-16(13(3)23)14(4)24/h9-10,17-18,21,23H,5-8H2,1-4H3
InChIKey
MKFWBUGTPDPZGQ-UHFFFAOYSA-N
Compound name
3-[[2-[(2-acetyl-3-hydroxybut-2-enylidene)amino]cyclohexyl]iminomethyl]-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 181.6
[M+Na]+ 357.178488 181.7
[M-H]- 333.181994 183.1
[M+NH4]+ 352.223093 193.8
[M+K]+ 373.152428 180.2
[M+H-H2O]+ 317.186530 174.6
[M+HCOO]- 379.187471 196.9
[M+CH3COO]- 393.203121 216.9
[M+Na-2H]- 355.163936 175.2
[M]+ 334.18872142 176.8
[M]- 334.18981858 176.8
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.