CID 132350981

2137843-04-8

Structural Information

Molecular Formula
C23H22N4O4
SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CN5C=C(N=N5)C(=O)O
InChI
InChI=1S/C23H22N4O4/c28-22(29)21-13-26(25-24-21)12-15-6-5-11-27(15)23(30)31-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,13,15,20H,5-6,11-12,14H2,(H,28,29)
InChIKey
OKVKXOOQPBVJCA-UHFFFAOYSA-N
Compound name
1-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 198.2
[M+Na]+ 441.15332 208.6
[M+NH4]+ 436.19792 203.3
[M+K]+ 457.12726 209.3
[M-H]- 417.15682 200.0
[M+Na-2H]- 439.13877 201.5
[M]+ 418.16355 199.8
[M]- 418.16465 199.8
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.