CID 366032

Nsc634207

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CC1=C(C2CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4)OCCCl
InChI
InChI=1S/C18H18ClNO3/c1-10-12-9-13(16(10)23-8-7-19)15-14(12)17(21)20(18(15)22)11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3
InChIKey
BLFVCKKIRJIYPP-UHFFFAOYSA-N
Compound name
8-(2-chloroethoxy)-9-methyl-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10481 181.1
[M+Na]+ 354.08675 191.8
[M-H]- 330.09025 187.8
[M+NH4]+ 349.13135 203.0
[M+K]+ 370.06069 185.6
[M+H-H2O]+ 314.09479 176.5
[M+HCOO]- 376.09573 196.3
[M+CH3COO]- 390.11138 193.0
[M+Na-2H]- 352.07220 177.8
[M]+ 331.09698 186.8
[M]- 331.09808 186.8
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.