CID 3046092

Brn 1083819

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1COCCN1CC2CN3C4=CC=CC=C4N=C3O2
InChI
InChI=1S/C14H17N3O2/c1-2-4-13-12(3-1)15-14-17(13)10-11(19-14)9-16-5-7-18-8-6-16/h1-4,11H,5-10H2
InChIKey
NSSAFCANJDSBPV-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 156.0
[M+Na]+ 282.12130 164.1
[M-H]- 258.12480 161.5
[M+NH4]+ 277.16590 171.4
[M+K]+ 298.09524 162.4
[M+H-H2O]+ 242.12934 147.6
[M+HCOO]- 304.13028 171.7
[M+CH3COO]- 318.14593 167.6
[M+Na-2H]- 280.10675 159.8
[M]+ 259.13153 156.3
[M]- 259.13263 156.3
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.