CID 137951498

2219408-47-4

Structural Information

Molecular Formula
C20H18N4O4
SMILES
CN1C(=C(N=N1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H18N4O4/c1-24-18(19(25)26)17(22-23-24)10-21-20(27)28-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,21,27)(H,25,26)
InChIKey
KNVXRUFXKZLWEO-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methyltriazole-4-carboxylic 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 187.4
[M+Na]+ 401.12202 195.0
[M-H]- 377.12552 191.9
[M+NH4]+ 396.16662 199.6
[M+K]+ 417.09596 190.5
[M+H-H2O]+ 361.13006 178.5
[M+HCOO]- 423.13100 205.4
[M+CH3COO]- 437.14665 196.8
[M+Na-2H]- 399.10747 188.2
[M]+ 378.13225 191.2
[M]- 378.13335 191.2
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.