CID 11822705

Bcl-2 inhibitor

Structural Information

Molecular Formula
C16H16N2O4
SMILES
COC1=CC(=C(C=C1)N=O)CCC2=C(C=CC(=C2)OC)N=O
InChI
InChI=1S/C16H16N2O4/c1-21-13-5-7-15(17-19)11(9-13)3-4-12-10-14(22-2)6-8-16(12)18-20/h5-10H,3-4H2,1-2H3
InChIKey
YPSXFMHXRZAGTG-UHFFFAOYSA-N
Compound name
4-methoxy-2-[2-(5-methoxy-2-nitrosophenyl)ethyl]-1-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1266
Patents

300.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 166.0
[M+Na]+ 323.10022 174.6
[M-H]- 299.10372 176.1
[M+NH4]+ 318.14482 182.1
[M+K]+ 339.07416 173.3
[M+H-H2O]+ 283.10826 156.8
[M+HCOO]- 345.10920 195.9
[M+CH3COO]- 359.12485 214.4
[M+Na-2H]- 321.08567 171.9
[M]+ 300.11045 173.9
[M]- 300.11155 173.9
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

patents stripe