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]+ 419.17138 198.8
[M+Na]+ 441.15332 205.6
[M-H]- 417.15682 205.6
[M+NH4]+ 436.19792 209.8
[M+K]+ 457.12726 201.0
[M+H-H2O]+ 401.16136 189.8
[M+HCOO]- 463.16230 212.7
[M+CH3COO]- 477.17795 207.2
[M+Na-2H]- 439.13877 193.2
[M]+ 418.16355 200.8
[M]- 418.16465 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.