CID 165890794

2580231-29-2

Structural Information

Molecular Formula
C20H18N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=NC(=NN4)CC(=O)O
InChI
InChI=1S/C20H18N4O4/c25-19(26)9-17-22-18(24-23-17)10-21-20(27)28-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,27)(H,25,26)(H,22,23,24)
InChIKey
CPTQPAZODDGOTP-UHFFFAOYSA-N
Compound name
2-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 188.3
[M+Na]+ 401.12202 198.3
[M+NH4]+ 396.16662 193.0
[M+K]+ 417.09596 197.1
[M-H]- 377.12552 188.9
[M+Na-2H]- 399.10747 191.4
[M]+ 378.13225 189.3
[M]- 378.13335 189.3
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.