CID 390918

Nsc689139

Structural Information

Molecular Formula
C29H32N2O3
SMILES
CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)C
InChI
InChI=1S/C29H32N2O3/c1-15(2)17-6-11-20-21(14-17)25-26(27-24(20)22-13-16(3)5-12-23(22)30-27)29(33)31(28(25)32)18-7-9-19(34-4)10-8-18/h5,7-10,12-13,15,17,20-21,25-26,30H,6,11,14H2,1-4H3
InChIKey
NHNUPBOJTOSGJV-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-16-methyl-9-propan-2-yl-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

456.2413 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.24858 215.9
[M+Na]+ 479.23052 223.1
[M-H]- 455.23402 222.1
[M+NH4]+ 474.27512 228.7
[M+K]+ 495.20446 215.0
[M+H-H2O]+ 439.23856 207.0
[M+HCOO]- 501.23950 224.5
[M+CH3COO]- 515.25515 222.8
[M+Na-2H]- 477.21597 209.0
[M]+ 456.24075 215.3
[M]- 456.24185 215.3
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.