CID 390913

Nsc689134

Structural Information

Molecular Formula
C32H30N2O3
SMILES
CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C6=CC=CC=C6)C(=O)N(C4=O)C7=CC=C(C=C7)OC
InChI
InChI=1S/C32H30N2O3/c1-18-7-6-10-24-26-23-16-11-20(19-8-4-3-5-9-19)17-25(23)27-28(30(26)33-29(18)24)32(36)34(31(27)35)21-12-14-22(37-2)15-13-21/h3-10,12-15,20,23,25,27-28,33H,11,16-17H2,1-2H3
InChIKey
YYRMECDQTJRLCR-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-18-methyl-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.22565 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.23293 222.1
[M+Na]+ 513.21487 229.4
[M-H]- 489.21837 231.4
[M+NH4]+ 508.25947 232.8
[M+K]+ 529.18881 220.1
[M+H-H2O]+ 473.22291 211.1
[M+HCOO]- 535.22385 231.8
[M+CH3COO]- 549.23950 228.6
[M+Na-2H]- 511.20032 216.4
[M]+ 490.22510 220.3
[M]- 490.22620 220.3
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.