CID 110541

1,3-diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-

Structural Information

Molecular Formula
C18H12N4O4
SMILES
CC1=C(C=CC(=C1)N2C(=O)N(C2=O)C3=CC(=C(C=C3)N=C=O)C)N=C=O
InChI
InChI=1S/C18H12N4O4/c1-11-7-13(3-5-15(11)19-9-23)21-17(25)22(18(21)26)14-4-6-16(20-10-24)12(2)8-14/h3-8H,1-2H3
InChIKey
FFCQMNGJCHMYPZ-UHFFFAOYSA-N
Compound name
1,3-bis(4-isocyanato-3-methylphenyl)-1,3-diazetidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.08585 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09313 184.1
[M+Na]+ 371.07507 193.6
[M+NH4]+ 366.11967 184.6
[M+K]+ 387.04901 188.7
[M-H]- 347.07857 185.4
[M+Na-2H]- 369.06052 188.3
[M]+ 348.08530 184.3
[M]- 348.08640 184.3
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.