CID 6477524

Nsc683834

Structural Information

Molecular Formula
C26H32N2O3
SMILES
CN(CC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)CN(C)C)/CCC2)O)C
InChI
InChI=1S/C26H32N2O3/c1-27(2)16-22-14-18(8-10-24(22)29)12-20-6-5-7-21(26(20)31)13-19-9-11-25(30)23(15-19)17-28(3)4/h8-15,29-30H,5-7,16-17H2,1-4H3/b20-12+,21-13+
InChIKey
UJECSONHGKGSEE-ZIOPAAQOSA-N
Compound name
(2E,6E)-2,6-bis[[3-[(dimethylamino)methyl]-4-hydroxyphenyl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

420.2413 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.24858 205.5
[M+Na]+ 443.23052 208.8
[M-H]- 419.23402 214.3
[M+NH4]+ 438.27512 214.9
[M+K]+ 459.20446 203.9
[M+H-H2O]+ 403.23856 195.5
[M+HCOO]- 465.23950 223.8
[M+CH3COO]- 479.25515 236.8
[M+Na-2H]- 441.21597 201.1
[M]+ 420.24075 203.5
[M]- 420.24185 203.5
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.