CID 132350983

2137634-01-4

Structural Information

Molecular Formula
C23H22N4O4
SMILES
C1CN(CCC1N2C(=CN=N2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H22N4O4/c28-22(29)21-13-24-25-27(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
XPRZGIMJFPLIQM-UHFFFAOYSA-N
Compound name
3-[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 199.0
[M+Na]+ 441.15332 210.5
[M+NH4]+ 436.19792 204.3
[M+K]+ 457.12726 208.7
[M-H]- 417.15682 201.4
[M+Na-2H]- 439.13877 203.0
[M]+ 418.16355 200.9
[M]- 418.16465 200.9
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.