CID 367745

Nsc637684

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C22H18N2O5/c1-11(2)13-8-6-7-12(3)17(13)24-21(27)18(25)16(19(26)22(24)28)20-23-14-9-4-5-10-15(14)29-20/h4-11,16H,1-3H3
InChIKey
CHWGSGKWIWQWDK-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(2-methyl-6-propan-2-ylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 191.5
[M+Na]+ 413.11080 202.3
[M-H]- 389.11430 201.6
[M+NH4]+ 408.15540 201.7
[M+K]+ 429.08474 198.2
[M+H-H2O]+ 373.11884 182.0
[M+HCOO]- 435.11978 208.8
[M+CH3COO]- 449.13543 224.4
[M+Na-2H]- 411.09625 189.7
[M]+ 390.12103 195.8
[M]- 390.12213 195.8
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.