CID 132351151

2137652-33-4

Structural Information

Molecular Formula
C25H21NO5
SMILES
C1COC2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=CC=C2C(=O)O
InChI
InChI=1S/C25H21NO5/c27-24(28)21-11-5-6-16-14-26(12-13-30-23(16)21)25(29)31-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,22H,12-15H2,(H,27,28)
InChIKey
HWAPIHBPHPJRGK-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14197 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.149246 197.3
[M+Na]+ 438.131188 202.9
[M-H]- 414.134694 205.8
[M+NH4]+ 433.175793 208.0
[M+K]+ 454.105128 202.7
[M+H-H2O]+ 398.139230 190.6
[M+HCOO]- 460.140171 210.3
[M+CH3COO]- 474.155821 205.7
[M+Na-2H]- 436.116636 198.6
[M]+ 415.14142142 196.4
[M]- 415.14251858 196.4
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.