CID 3010629

4-(3,4-dimethoxyphenyl)-2-isopropyl-6,7-dimethoxy-1,3-dihydrobenzo[f]isoindole

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(C)N1CC2=C(C1)C(=C3C=C(C(=CC3=C2)OC)OC)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C25H29NO4/c1-15(2)26-13-18-9-17-11-23(29-5)24(30-6)12-19(17)25(20(18)14-26)16-7-8-21(27-3)22(10-16)28-4/h7-12,15H,13-14H2,1-6H3
InChIKey
LKTGBLQWKLKXBO-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-propan-2-yl-1,3-dihydrobenzo[f]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.20966 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 202.1
[M+Na]+ 430.19888 210.4
[M-H]- 406.20238 209.7
[M+NH4]+ 425.24348 215.8
[M+K]+ 446.17282 206.4
[M+H-H2O]+ 390.20692 192.9
[M+HCOO]- 452.20786 219.4
[M+CH3COO]- 466.22351 230.3
[M+Na-2H]- 428.18433 200.3
[M]+ 407.20911 209.7
[M]- 407.21021 209.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.