CID 103708395

1690586-74-3

Structural Information

Molecular Formula
C22H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC=C4)C(=O)O
InChI
InChI=1S/C22H20N2O4/c25-21(26)20(11-14-9-10-23-12-14)24-22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19-20,23H,11,13H2,(H,24,27)(H,25,26)
InChIKey
QDDIKVNUBOXYKQ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 187.7
[M+Na]+ 399.13152 192.0
[M-H]- 375.13502 192.5
[M+NH4]+ 394.17612 201.4
[M+K]+ 415.10546 187.2
[M+H-H2O]+ 359.13956 180.2
[M+HCOO]- 421.14050 205.3
[M+CH3COO]- 435.15615 196.4
[M+Na-2H]- 397.11697 187.5
[M]+ 376.14175 188.0
[M]- 376.14285 188.0
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.