CID 21118935

Ns00055692

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCN1C(OC2=CC=CC=C21)/C=C/C3=C(N(C(=C3)C)CC)C
InChI
InChI=1S/C19H24N2O/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19/h7-13,19H,5-6H2,1-4H3/b12-11+
InChIKey
CBQRIPGBOSLOLP-VAWYXSNFSA-N
Compound name
3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-2H-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 174.5
[M+Na]+ 319.178088 184.2
[M-H]- 295.181594 180.7
[M+NH4]+ 314.222693 191.4
[M+K]+ 335.152028 179.6
[M+H-H2O]+ 279.186130 167.1
[M+HCOO]- 341.187071 193.9
[M+CH3COO]- 355.202721 206.6
[M+Na-2H]- 317.163536 173.2
[M]+ 296.18832142 178.5
[M]- 296.18941858 178.5
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.