CID 494267

Nsc 348709

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CN1C2C=CC(=O)C1(C3C2C(=O)N(C3=O)C4=CC=CC=C4)Cl
InChI
InChI=1S/C16H13ClN2O3/c1-18-10-7-8-11(20)16(18,17)13-12(10)14(21)19(15(13)22)9-5-3-2-4-6-9/h2-8,10,12-13H,1H3
InChIKey
SJIAXSNKDJTHJJ-UHFFFAOYSA-N
Compound name
7-chloro-11-methyl-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 171.5
[M+Na]+ 339.05068 183.7
[M-H]- 315.05418 176.8
[M+NH4]+ 334.09528 192.8
[M+K]+ 355.02462 177.2
[M+H-H2O]+ 299.05872 165.3
[M+HCOO]- 361.05966 184.0
[M+CH3COO]- 375.07531 183.5
[M+Na-2H]- 337.03613 172.0
[M]+ 316.06091 174.5
[M]- 316.06201 174.5
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.