CID 72192271

943918-76-1

Structural Information

Molecular Formula
C20H18N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CN(N=N4)CC(=O)O
InChI
InChI=1S/C20H18N4O4/c25-19(26)11-24-10-13(22-23-24)9-21-20(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10,18H,9,11-12H2,(H,21,27)(H,25,26)
InChIKey
GOPNHTQASZJISG-UHFFFAOYSA-N
Compound name
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]triazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 186.3
[M+Na]+ 401.12202 193.0
[M-H]- 377.12552 190.4
[M+NH4]+ 396.16662 198.2
[M+K]+ 417.09596 188.5
[M+H-H2O]+ 361.13006 177.0
[M+HCOO]- 423.13100 204.3
[M+CH3COO]- 437.14665 195.4
[M+Na-2H]- 399.10747 187.8
[M]+ 378.13225 189.7
[M]- 378.13335 189.7
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

No patent data available for this compound.