CID 494790

Nsc632118

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCCCCCC1=C(C(=CC(=O)C1=O)NC2CCCCC2N)O
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-8-9-10-13-17-22(27)20(16-21(26)23(17)28)25-19-15-12-11-14-18(19)24/h16,18-19,25,27H,2-15,24H2,1H3
InChIKey
UJZNEOIGXBVUCE-UHFFFAOYSA-N
Compound name
5-[(2-aminocyclohexyl)amino]-4-hydroxy-3-undecylcyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 199.5
[M+Na]+ 413.27746 200.8
[M-H]- 389.28096 202.3
[M+NH4]+ 408.32206 209.6
[M+K]+ 429.25140 195.3
[M+H-H2O]+ 373.28550 190.7
[M+HCOO]- 435.28644 215.8
[M+CH3COO]- 449.30209 228.5
[M+Na-2H]- 411.26291 194.9
[M]+ 390.28769 196.6
[M]- 390.28879 196.6
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.