CID 360573

66108-42-7

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=O)NC4=O
InChI
InChI=1S/C19H12N2O3/c22-17-16(18(23)21-19(24)20-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,20,21,22,23,24)
InChIKey
DOUGKDZIBIQOQP-UHFFFAOYSA-N
Compound name
5-(anthracen-9-ylmethylidene)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

316.08478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.092056 172.8
[M+Na]+ 339.073998 182.3
[M-H]- 315.077504 176.1
[M+NH4]+ 334.118603 184.9
[M+K]+ 355.047938 173.8
[M+H-H2O]+ 299.082040 163.2
[M+HCOO]- 361.082981 187.3
[M+CH3COO]- 375.098631 182.4
[M+Na-2H]- 337.059446 177.9
[M]+ 316.08423142 168.8
[M]- 316.08532858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe