CID 137951889

2219419-18-6

Structural Information

Molecular Formula
C21H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=C(C=CO4)C(=O)O
InChI
InChI=1S/C21H17NO5/c23-20(24)17-9-10-26-19(17)11-22-21(25)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-10,18H,11-12H2,(H,22,25)(H,23,24)
InChIKey
VXQVJHMSQUDGCY-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11798 183.2
[M+Na]+ 386.09992 189.8
[M-H]- 362.10342 191.7
[M+NH4]+ 381.14452 198.6
[M+K]+ 402.07386 187.0
[M+H-H2O]+ 346.10796 176.9
[M+HCOO]- 408.10890 204.1
[M+CH3COO]- 422.12455 214.0
[M+Na-2H]- 384.08537 185.0
[M]+ 363.11015 187.5
[M]- 363.11125 187.5
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.