CID 390916

Nsc689137

Structural Information

Molecular Formula
C29H32N2O4
SMILES
CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC
InChI
InChI=1S/C29H32N2O4/c1-15(2)16-5-11-20-21(13-16)25-26(27-24(20)22-14-19(35-4)10-12-23(22)30-27)29(33)31(28(25)32)17-6-8-18(34-3)9-7-17/h6-10,12,14-16,20-21,25-26,30H,5,11,13H2,1-4H3
InChIKey
UGUWXTYIIXLQET-UHFFFAOYSA-N
Compound name
16-methoxy-4-(4-methoxyphenyl)-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

472.2362 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.24348 218.1
[M+Na]+ 495.22542 224.9
[M-H]- 471.22892 224.3
[M+NH4]+ 490.27002 230.1
[M+K]+ 511.19936 217.8
[M+H-H2O]+ 455.23346 209.2
[M+HCOO]- 517.23440 226.8
[M+CH3COO]- 531.25005 224.8
[M+Na-2H]- 493.21087 211.7
[M]+ 472.23565 218.9
[M]- 472.23675 218.9
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.