CID 101201

Cyclophenol

Structural Information

Molecular Formula
C17H14N2O4
SMILES
CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O
InChI
InChI=1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)
InChIKey
BDDNYDPRCCDQQJ-UHFFFAOYSA-N
Compound name
3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

62
Patents

310.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 172.1
[M+Na]+ 333.08459 182.3
[M-H]- 309.08809 179.4
[M+NH4]+ 328.12919 179.9
[M+K]+ 349.05853 182.0
[M+H-H2O]+ 293.09263 164.3
[M+HCOO]- 355.09357 186.4
[M+CH3COO]- 369.10922 182.0
[M+Na-2H]- 331.07004 176.8
[M]+ 310.09482 171.6
[M]- 310.09592 171.6
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