CID 44153521

94030-97-4

Structural Information

Molecular Formula
C25H20FN3O2
SMILES
CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C25H20FN3O2/c1-28-18(15-29-24(30)19-9-5-6-10-20(19)25(29)31)14-27-23(16-7-3-2-4-8-16)21-12-11-17(26)13-22(21)28/h2-13,18H,14-15H2,1H3
InChIKey
QTTOVYJPLUFODL-UHFFFAOYSA-N
Compound name
2-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.15396 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.161236 203.7
[M+Na]+ 436.143178 213.4
[M-H]- 412.146684 211.9
[M+NH4]+ 431.187783 213.4
[M+K]+ 452.117118 208.8
[M+H-H2O]+ 396.151220 192.1
[M+HCOO]- 458.152161 218.1
[M+CH3COO]- 472.167811 212.2
[M+Na-2H]- 434.128626 202.6
[M]+ 413.15341142 200.9
[M]- 413.15450858 200.9
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

No patent data available for this compound.