CID 137946928

1266778-58-8

Structural Information

Molecular Formula
C20H17N3O4
SMILES
C1[C@H](N(CC12N=N2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C20H17N3O4/c24-18(25)17-9-20(21-22-20)11-23(17)19(26)27-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,24,25)/t17-/m0/s1
InChIKey
BSWXCLQLAZADLK-KRWDZBQOSA-N
Compound name
(5S)-6-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,6-triazaspiro[2.4]hept-1-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.129196 191.1
[M+Na]+ 386.111138 201.3
[M-H]- 362.114644 197.4
[M+NH4]+ 381.155743 201.5
[M+K]+ 402.085078 195.1
[M+H-H2O]+ 346.119180 183.6
[M+HCOO]- 408.120121 206.2
[M+CH3COO]- 422.135771 200.2
[M+Na-2H]- 384.096586 191.4
[M]+ 363.12137142 195.5
[M]- 363.12246858 195.5
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.