CID 79342385

2171641-19-1

Structural Information

Molecular Formula
C22H19N3O4
SMILES
C1C(N(CC2=C1N=CN2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H19N3O4/c26-21(27)20-9-18-19(24-12-23-18)10-25(20)22(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,20H,9-11H2,(H,23,24)(H,26,27)
InChIKey
BVEHJVDGBLGYCN-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 190.4
[M+Na]+ 412.12676 196.8
[M-H]- 388.13026 193.7
[M+NH4]+ 407.17136 202.3
[M+K]+ 428.10070 190.8
[M+H-H2O]+ 372.13480 181.7
[M+HCOO]- 434.13574 201.9
[M+CH3COO]- 448.15139 198.3
[M+Na-2H]- 410.11221 189.4
[M]+ 389.13699 189.7
[M]- 389.13809 189.7
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.