CID 3058524

75370-45-5

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCOC1=C(C=C2CC(CCC2=C1)NCC3=CC(=O)C(C=C3)OC=C)OCC
InChI
InChI=1S/C23H29NO4/c1-4-26-21-10-7-16(11-20(21)25)15-24-19-9-8-17-13-22(27-5-2)23(28-6-3)14-18(17)12-19/h4,7,10-11,13-14,19,21,24H,1,5-6,8-9,12,15H2,2-3H3
InChIKey
KFOQSJJOUIGJSK-UHFFFAOYSA-N
Compound name
3-[[(6,7-diethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]-6-ethenoxycyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 192.8
[M+Na]+ 406.19888 197.4
[M-H]- 382.20238 199.1
[M+NH4]+ 401.24348 205.2
[M+K]+ 422.17282 192.9
[M+H-H2O]+ 366.20692 183.4
[M+HCOO]- 428.20786 211.5
[M+CH3COO]- 442.22351 225.4
[M+Na-2H]- 404.18433 193.4
[M]+ 383.20911 194.9
[M]- 383.21021 194.9
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.