CID 132350995

2137578-44-8

Structural Information

Molecular Formula
C24H24N4O4
SMILES
C1CC(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N5C=C(N=N5)C(=O)O
InChI
InChI=1S/C24H24N4O4/c29-23(30)22-14-28(26-25-22)16-6-5-12-27(13-11-16)24(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,14,16,21H,5-6,11-13,15H2,(H,29,30)
InChIKey
ZHDUHQUZONESPU-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-4-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.17975 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18703 204.3
[M+Na]+ 455.16897 213.4
[M+NH4]+ 450.21357 208.6
[M+K]+ 471.14291 212.6
[M-H]- 431.17247 206.1
[M+Na-2H]- 453.15442 207.4
[M]+ 432.17920 205.8
[M]- 432.18030 205.8
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.