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

907
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

literature stripe

Patent stripe

patents stripe