CID 6477087

Nsc634800

Structural Information

Molecular Formula
C30H40N2O3
SMILES
CN(C)CCCOC1=CC=C(C=C1)/C=C/2\CCC/C(=C/C3=CC=C(C=C3)OCCCN(C)C)/C2=O
InChI
InChI=1S/C30H40N2O3/c1-31(2)18-6-20-34-28-14-10-24(11-15-28)22-26-8-5-9-27(30(26)33)23-25-12-16-29(17-13-25)35-21-7-19-32(3)4/h10-17,22-23H,5-9,18-21H2,1-4H3/b26-22-,27-23+
InChIKey
GLNLAJVNRGWNEM-SKTAYQSRSA-N
Compound name
(2E,6Z)-2,6-bis[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.3039 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.31118 223.2
[M+Na]+ 499.29312 223.6
[M-H]- 475.29662 233.0
[M+NH4]+ 494.33772 230.9
[M+K]+ 515.26706 219.3
[M+H-H2O]+ 459.30116 211.1
[M+HCOO]- 521.30210 243.0
[M+CH3COO]- 535.31775 250.2
[M+Na-2H]- 497.27857 218.8
[M]+ 476.30335 225.2
[M]- 476.30445 225.2
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.