CID 138109914

1370440-28-0

Structural Information

Molecular Formula
C18H13N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)ON=C(C#N)C(=O)N
InChI
InChI=1S/C18H13N3O4/c19-9-16(17(20)22)21-25-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,10H2,(H2,20,22)
InChIKey
WKXZMBNWSRJOEZ-UHFFFAOYSA-N
Compound name
[(2-amino-1-cyano-2-oxoethylidene)amino] 9H-fluoren-9-ylmethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0906 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09788 184.8
[M+Na]+ 358.07982 193.6
[M-H]- 334.08332 189.3
[M+NH4]+ 353.12442 199.5
[M+K]+ 374.05376 187.7
[M+H-H2O]+ 318.08786 170.8
[M+HCOO]- 380.08880 203.8
[M+CH3COO]- 394.10445 224.1
[M+Na-2H]- 356.06527 186.4
[M]+ 335.09005 181.9
[M]- 335.09115 181.9
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

No patent data available for this compound.