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

5
Patents

382.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 190.6
[M+Na]+ 405.25124 190.2
[M-H]- 381.25474 195.8
[M+NH4]+ 400.29584 200.4
[M+K]+ 421.22518 183.8
[M+H-H2O]+ 365.25928 180.8
[M+HCOO]- 427.26022 203.2
[M+CH3COO]- 441.27587 196.4
[M+Na-2H]- 403.23669 190.7
[M]+ 382.26147 180.1
[M]- 382.26257 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