CID 110284499

Schembl30729198

Structural Information

Molecular Formula
C24H22N2O4
SMILES
CC1=C(N=CC=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H22N2O4/c1-15-7-6-12-25-21(15)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20,22H,13-14H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
RUECRWSLLZKWGE-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methyl-2-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 195.9
[M+Na]+ 425.14718 200.7
[M-H]- 401.15068 201.4
[M+NH4]+ 420.19178 207.4
[M+K]+ 441.12112 196.0
[M+H-H2O]+ 385.15522 186.7
[M+HCOO]- 447.15616 213.1
[M+CH3COO]- 461.17181 224.0
[M+Na-2H]- 423.13263 196.9
[M]+ 402.15741 197.9
[M]- 402.15851 197.9
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

patents stripe