CID 132350982

2138267-67-9

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CC1=C(N=NN1C2CCN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H22N4O4/c1-14-21(22(28)29)24-25-27(14)15-10-11-26(12-15)23(30)31-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-13H2,1H3,(H,28,29)
InChIKey
ONAIAKFSKWOVKV-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]-5-methyltriazole-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]+ 419.171376 198.8
[M+Na]+ 441.153318 205.6
[M-H]- 417.156824 205.6
[M+NH4]+ 436.197923 209.8
[M+K]+ 457.127258 201.0
[M+H-H2O]+ 401.161360 189.8
[M+HCOO]- 463.162301 212.7
[M+CH3COO]- 477.177951 207.2
[M+Na-2H]- 439.138766 193.2
[M]+ 418.16355142 200.8
[M]- 418.16464858 200.8
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.