CID 25195449

Imb115

Structural Information

Molecular Formula
C26H33N3O3
SMILES
C1C[C@@H]2C[C@H](C1)CC(C2)N3[C@@H]4CCC[C@H]3CC(C4)N5C6=CC=CC=C6N=C(C5=O)C(=O)O
InChI
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16-,17+,18-,19+,20?,21?
InChIKey
COTYYZPYDJKKIS-BPUPTYSTSA-N
Compound name
4-[(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

435.2522 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25948 208.8
[M+Na]+ 458.24142 220.7
[M+NH4]+ 453.28602 216.6
[M+K]+ 474.21536 212.4
[M-H]- 434.24492 212.4
[M+Na-2H]- 456.22687 209.1
[M]+ 435.25165 211.3
[M]- 435.25275 211.3
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