CID 10907751

Bipymox

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC(C)[C@H]1COC(=N1)C2=CC=CC(=N2)C3=NC(=CC=C3)C4=N[C@H](CO4)C(C)C
InChI
InChI=1S/C22H26N4O2/c1-13(2)19-11-27-21(25-19)17-9-5-7-15(23-17)16-8-6-10-18(24-16)22-26-20(12-28-22)14(3)4/h5-10,13-14,19-20H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKey
NNCROLGXDLXLJM-WOJBJXKFSA-N
Compound name
(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

378.20557 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 192.7
[M+Na]+ 401.19479 199.2
[M-H]- 377.19829 201.9
[M+NH4]+ 396.23939 199.4
[M+K]+ 417.16873 196.4
[M+H-H2O]+ 361.20283 181.8
[M+HCOO]- 423.20377 206.7
[M+CH3COO]- 437.21942 201.7
[M+Na-2H]- 399.18024 188.4
[M]+ 378.20502 194.4
[M]- 378.20612 194.4
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