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]+ 335.19655 181.6
[M+Na]+ 357.17849 181.7
[M-H]- 333.18199 183.1
[M+NH4]+ 352.22309 193.8
[M+K]+ 373.15243 180.2
[M+H-H2O]+ 317.18653 174.6
[M+HCOO]- 379.18747 196.9
[M+CH3COO]- 393.20312 216.9
[M+Na-2H]- 355.16394 175.2
[M]+ 334.18872 176.8
[M]- 334.18982 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.