CID 356054

Nsc611088

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1(CCC2(N1OC(=O)N2C3=CC=CC=C3)C)C
InChI
InChI=1S/C14H18N2O2/c1-13(2)9-10-14(3)15(12(17)18-16(13)14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey
VTCSRGREERSKAC-UHFFFAOYSA-N
Compound name
5,5,7a-trimethyl-1-phenyl-6,7-dihydropyrrolo[1,2-b][1,2,4]oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 153.4
[M+Na]+ 269.12605 163.4
[M-H]- 245.12955 159.7
[M+NH4]+ 264.17065 175.6
[M+K]+ 285.09999 161.3
[M+H-H2O]+ 229.13409 147.2
[M+HCOO]- 291.13503 172.1
[M+CH3COO]- 305.15068 166.6
[M+Na-2H]- 267.11150 156.9
[M]+ 246.13628 154.3
[M]- 246.13738 154.3
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

No patent data available for this compound.