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]+ 419.17138 198.2
[M+Na]+ 441.15332 203.4
[M-H]- 417.15682 203.3
[M+NH4]+ 436.19792 206.7
[M+K]+ 457.12726 198.0
[M+H-H2O]+ 401.16136 187.3
[M+HCOO]- 463.16230 209.5
[M+CH3COO]- 477.17795 205.2
[M+Na-2H]- 439.13877 195.3
[M]+ 418.16355 197.1
[M]- 418.16465 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.