CID 395265

Nsc699743

Structural Information

Molecular Formula
C30H34N2O3
SMILES
CCC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC
InChI
InChI=1S/C30H34N2O3/c1-5-30(2,3)17-10-15-20-22(16-17)25-26(27-24(20)21-8-6-7-9-23(21)31-27)29(34)32(28(25)33)18-11-13-19(35-4)14-12-18/h6-9,11-14,17,20,22,25-26,31H,5,10,15-16H2,1-4H3
InChIKey
WIQKJAZMFIVQPU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-9-(2-methylbutan-2-yl)-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

470.25696 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.26424 221.5
[M+Na]+ 493.24618 228.1
[M-H]- 469.24968 227.4
[M+NH4]+ 488.29078 233.7
[M+K]+ 509.22012 220.0
[M+H-H2O]+ 453.25422 212.7
[M+HCOO]- 515.25516 229.2
[M+CH3COO]- 529.27081 227.9
[M+Na-2H]- 491.23163 217.1
[M]+ 470.25641 220.9
[M]- 470.25751 220.9
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.