CID 103696686

2193066-59-8

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CN1C=NC=C1C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19N3O4/c1-24-12-22-10-18(24)19(20(25)26)23-21(27)28-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17,19H,11H2,1H3,(H,23,27)(H,25,26)
InChIKey
JXOKXARHSXMPRG-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-methylimidazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13754 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 187.7
[M+Na]+ 400.12676 193.7
[M-H]- 376.13026 193.1
[M+NH4]+ 395.17136 201.0
[M+K]+ 416.10070 189.8
[M+H-H2O]+ 360.13480 179.4
[M+HCOO]- 422.13574 205.7
[M+CH3COO]- 436.15139 217.8
[M+Na-2H]- 398.11221 187.6
[M]+ 377.13699 190.4
[M]- 377.13809 190.4
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.