CID 131265150

2091154-19-5

Structural Information

Molecular Formula
C23H22N4O4
SMILES
C1CN(CCC1N2C=C(N=N2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H22N4O4/c28-22(29)21-13-27(25-24-21)15-9-11-26(12-10-15)23(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20H,9-12,14H2,(H,28,29)
InChIKey
WBTDIGXOUCZPBM-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.171376 198.2
[M+Na]+ 441.153318 203.4
[M-H]- 417.156824 203.3
[M+NH4]+ 436.197923 206.7
[M+K]+ 457.127258 198.0
[M+H-H2O]+ 401.161360 187.3
[M+HCOO]- 463.162301 209.5
[M+CH3COO]- 477.177951 205.2
[M+Na-2H]- 439.138766 195.3
[M]+ 418.16355142 197.1
[M]- 418.16464858 197.1
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.