CID 49768297

4,7-ethano-1h-isoindole-1,3(2h)-dione, 2-amino-3a,4,7,7a-tetrahydro-5-methyl-8-(1-methylethyl)-, (3ar,4r,7r,7as,8r)-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=C[C@H]2[C@H](C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)N)C(C)C
InChI
InChI=1S/C14H20N2O2/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(17)16(15)14(12)18/h4,6,8-12H,5,15H2,1-3H3/t8-,9+,10+,11-,12+/m1/s1
InChIKey
IESZPYJMIIUFJZ-IIRVCBMXSA-N
Compound name
(1R,2S,6R,7R,10R)-4-amino-8-methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.5
[M+Na]+ 271.14170 164.8
[M-H]- 247.14520 156.7
[M+NH4]+ 266.18630 181.1
[M+K]+ 287.11564 161.5
[M+H-H2O]+ 231.14974 153.8
[M+HCOO]- 293.15068 168.9
[M+CH3COO]- 307.16633 168.6
[M+Na-2H]- 269.12715 161.2
[M]+ 248.15193 159.6
[M]- 248.15303 159.6
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.