CID 26794757

1155875-68-5

Structural Information

Molecular Formula
C26H22N4O3
SMILES
C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)N5C6=CC=CC=C6N=N5
InChI
InChI=1S/C26H22N4O3/c31-25(30-23-13-6-5-12-22(23)27-28-30)24-14-7-15-29(24)26(32)33-16-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-6,8-13,21,24H,7,14-16H2/t24-/m0/s1
InChIKey
ZTDUGEKWIJHWKX-DEOSSOPVSA-N
Compound name
9H-fluoren-9-ylmethyl (2S)-2-(benzotriazole-1-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

438.1692 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 203.1
[M+Na]+ 461.15842 216.8
[M+NH4]+ 456.20302 210.0
[M+K]+ 477.13236 215.1
[M-H]- 437.16192 207.2
[M+Na-2H]- 459.14387 208.6
[M]+ 438.16865 206.1
[M]- 438.16975 206.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe