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 203.4
[M+Na]+ 455.16897 208.3
[M-H]- 431.17247 210.2
[M+NH4]+ 450.21357 211.3
[M+K]+ 471.14291 206.3
[M+H-H2O]+ 415.17701 192.4
[M+HCOO]- 477.17795 214.7
[M+CH3COO]- 491.19360 210.1
[M+Na-2H]- 453.15442 200.0
[M]+ 432.17920 200.0
[M]- 432.18030 200.0
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.