CID 165672993

2408966-56-1

Structural Information

Molecular Formula
C23H22N4O4
SMILES
C1C(CC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CN5C=C(N=N5)C(=O)O
InChI
InChI=1S/C23H22N4O4/c28-22(29)21-12-27(26-25-21)11-14-9-15(10-14)24-23(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,12,14-15,20H,9-11,13H2,(H,24,30)(H,28,29)
InChIKey
KUTHONIPEDYCMF-UHFFFAOYSA-N
Compound name
1-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 196.4
[M+Na]+ 441.15332 200.0
[M-H]- 417.15682 202.8
[M+NH4]+ 436.19792 200.0
[M+K]+ 457.12726 198.7
[M+H-H2O]+ 401.16136 181.3
[M+HCOO]- 463.16230 211.2
[M+CH3COO]- 477.17795 203.6
[M+Na-2H]- 439.13877 194.7
[M]+ 418.16355 206.4
[M]- 418.16465 206.4
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.