CID 131345963

2091116-27-5

Structural Information

Molecular Formula
C22H20N4O4
SMILES
C1CN(CC1N2C=C(N=N2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H20N4O4/c27-21(28)20-12-26(24-23-20)14-9-10-25(11-14)22(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,12,14,19H,9-11,13H2,(H,27,28)
InChIKey
NMWJJDIMZCPSSJ-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14847 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 193.9
[M+Na]+ 427.13769 204.6
[M+NH4]+ 422.18229 199.2
[M+K]+ 443.11163 205.4
[M-H]- 403.14119 195.8
[M+Na-2H]- 425.12314 197.4
[M]+ 404.14792 195.5
[M]- 404.14902 195.5
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.