CID 15957492

1-azido-3-[(z)-[benzofuran-2-yl-(3-methyl-3-phenyl-cyclobutyl)methylene]amino]oxy-propan-2-ol

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CC1(CC(C1)/C(=N/OCC(CN=[N+]=[N-])O)/C2=CC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C23H24N4O3/c1-23(18-8-3-2-4-9-18)12-17(13-23)22(26-29-15-19(28)14-25-27-24)21-11-16-7-5-6-10-20(16)30-21/h2-11,17,19,28H,12-15H2,1H3/b26-22-
InChIKey
FZDVALGMZOFAKY-ROMGYVFFSA-N
Compound name
1-azido-3-[(Z)-[1-benzofuran-2-yl-(3-methyl-3-phenylcyclobutyl)methylidene]amino]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.18484 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 195.5
[M+Na]+ 427.17406 196.5
[M-H]- 403.17756 207.6
[M+NH4]+ 422.21866 201.6
[M+K]+ 443.14800 193.2
[M+H-H2O]+ 387.18210 183.4
[M+HCOO]- 449.18304 221.1
[M+CH3COO]- 463.19869 229.4
[M+Na-2H]- 425.15951 201.9
[M]+ 404.18429 204.3
[M]- 404.18539 204.3
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

No patent data available for this compound.