CID 137928720

2260930-84-3

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1C(CN2C=CN=C2CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H21N3O4/c27-22(28)15-11-25-10-9-24-21(25)13-26(12-15)23(29)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,15,20H,11-14H2,(H,27,28)
InChIKey
LIMPVFIKQSVHRK-UHFFFAOYSA-N
Compound name
8-(9H-fluoren-9-ylmethoxycarbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 196.2
[M+Na]+ 426.14242 202.6
[M-H]- 402.14592 202.5
[M+NH4]+ 421.18702 207.9
[M+K]+ 442.11636 200.3
[M+H-H2O]+ 386.15046 187.6
[M+HCOO]- 448.15140 208.9
[M+CH3COO]- 462.16705 204.2
[M+Na-2H]- 424.12787 194.8
[M]+ 403.15265 194.7
[M]- 403.15375 194.7
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.