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]+ 404.160476 196.2
[M+Na]+ 426.142418 202.6
[M-H]- 402.145924 202.5
[M+NH4]+ 421.187023 207.9
[M+K]+ 442.116358 200.3
[M+H-H2O]+ 386.150460 187.6
[M+HCOO]- 448.151401 208.9
[M+CH3COO]- 462.167051 204.2
[M+Na-2H]- 424.127866 194.8
[M]+ 403.15265142 194.7
[M]- 403.15374858 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.