CID 360715

Nsc623051

Structural Information

Molecular Formula
C19H11ClN2O5
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C19H11ClN2O5/c1-9-8-10(20)6-7-12(9)22-18(25)15(23)14(16(24)19(22)26)17-21-11-4-2-3-5-13(11)27-17/h2-8,14H,1H3
InChIKey
BJZVDVOAEGMENU-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(4-chloro-2-methylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.03564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04292 186.1
[M+Na]+ 405.02486 199.4
[M-H]- 381.02836 196.5
[M+NH4]+ 400.06946 197.8
[M+K]+ 420.99880 194.0
[M+H-H2O]+ 365.03290 177.2
[M+HCOO]- 427.03384 200.8
[M+CH3COO]- 441.04949 198.0
[M+Na-2H]- 403.01031 186.3
[M]+ 382.03509 192.3
[M]- 382.03619 192.3
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

patents stripe