CID 165893251

En300-27725752

Structural Information

Molecular Formula
C21H21N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC4(N=N4)CCC(=O)O
InChI
InChI=1S/C21H21N3O4/c25-19(26)9-10-21(23-24-21)11-12-22-20(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,27)(H,25,26)
InChIKey
QXQYYXDTHFVWCA-UHFFFAOYSA-N
Compound name
3-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]diazirin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 192.0
[M+Na]+ 402.14242 200.4
[M-H]- 378.14592 196.8
[M+NH4]+ 397.18702 200.9
[M+K]+ 418.11636 194.4
[M+H-H2O]+ 362.15046 184.1
[M+HCOO]- 424.15140 210.2
[M+CH3COO]- 438.16705 218.9
[M+Na-2H]- 400.12787 196.1
[M]+ 379.15265 199.1
[M]- 379.15375 199.1
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.