CID 25316

377c54

Structural Information

Molecular Formula
C24H34N2O2
SMILES
C1CCC(CC1)NCC2=C(C3=C(C=C2)C(=C(C=C3)O)CNC4CCCCC4)O
InChI
InChI=1S/C24H34N2O2/c27-23-14-13-21-20(22(23)16-26-19-9-5-2-6-10-19)12-11-17(24(21)28)15-25-18-7-3-1-4-8-18/h11-14,18-19,25-28H,1-10,15-16H2
InChIKey
QBEPKQYTCNCPMF-UHFFFAOYSA-N
Compound name
2,5-bis[(cyclohexylamino)methyl]naphthalene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

382.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.269296 190.6
[M+Na]+ 405.251238 190.2
[M-H]- 381.254744 195.8
[M+NH4]+ 400.295843 200.4
[M+K]+ 421.225178 183.8
[M+H-H2O]+ 365.259280 180.8
[M+HCOO]- 427.260221 203.2
[M+CH3COO]- 441.275871 196.4
[M+Na-2H]- 403.236686 190.7
[M]+ 382.26147142 180.1
[M]- 382.26256858 180.1
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

patents stripe