CID 132349288

2137851-57-9

Structural Information

Molecular Formula
C21H20N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCN4C=C(N=N4)C(=O)O
InChI
InChI=1S/C21H20N4O4/c26-20(27)19-12-25(24-23-19)11-5-10-22-21(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,12,18H,5,10-11,13H2,(H,22,28)(H,26,27)
InChIKey
WUXQVOXKRJELGV-UHFFFAOYSA-N
Compound name
1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14847 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 192.4
[M+Na]+ 415.13769 202.7
[M+NH4]+ 410.18229 197.3
[M+K]+ 431.11163 201.1
[M-H]- 391.14119 193.5
[M+Na-2H]- 413.12314 195.9
[M]+ 392.14792 193.7
[M]- 392.14902 193.7
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.