CID 390911

Nsc689132

Structural Information

Molecular Formula
C32H30N2O4
SMILES
COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OC)C7=CC=CC=C7
InChI
InChI=1S/C32H30N2O4/c1-37-21-11-9-20(10-12-21)34-31(35)28-24-16-19(18-6-4-3-5-7-18)8-14-23(24)27-25-17-22(38-2)13-15-26(25)33-30(27)29(28)32(34)36/h3-7,9-13,15,17,19,23-24,28-29,33H,8,14,16H2,1-2H3
InChIKey
DEXLCGGYIACTEW-UHFFFAOYSA-N
Compound name
16-methoxy-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.22055 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.22783 224.2
[M+Na]+ 529.20977 231.0
[M-H]- 505.21327 233.4
[M+NH4]+ 524.25437 234.0
[M+K]+ 545.18371 222.7
[M+H-H2O]+ 489.21781 213.0
[M+HCOO]- 551.21875 233.9
[M+CH3COO]- 565.23440 230.5
[M+Na-2H]- 527.19522 218.8
[M]+ 506.22000 223.6
[M]- 506.22110 223.6
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.