CID 132313801

2138507-43-2

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CCC(C1=NC=C(N1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-2-18(20-23-11-19(24-20)21(26)27)25-22(28)29-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-11,17-18H,2,12H2,1H3,(H,23,24)(H,25,28)(H,26,27)
InChIKey
CBDZMZWYYFCEAZ-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 191.7
[M+Na]+ 414.142418 196.8
[M-H]- 390.145924 195.6
[M+NH4]+ 409.187023 203.7
[M+K]+ 430.116358 192.0
[M+H-H2O]+ 374.150460 183.6
[M+HCOO]- 436.151401 207.9
[M+CH3COO]- 450.167051 218.6
[M+Na-2H]- 412.127866 190.9
[M]+ 391.15265142 192.9
[M]- 391.15374858 192.9
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.