CID 6448828

152168-00-8

Structural Information

Molecular Formula
C19H18N3O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+]3=CC(=O)ON3
InChI
InChI=1S/C19H17N3O3/c1-21(2)16-8-3-14(4-9-16)5-12-18(23)15-6-10-17(11-7-15)22-13-19(24)25-20-22/h3-13H,1-2H3/p+1/b12-5+
InChIKey
GLLPHBOCYMYCCG-LFYBBSHMSA-O
Compound name
3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

336.13483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14211 181.6
[M+Na]+ 359.12405 188.7
[M-H]- 335.12755 190.2
[M+NH4]+ 354.16865 191.7
[M+K]+ 375.09799 179.2
[M+H-H2O]+ 319.13209 174.1
[M+HCOO]- 381.13303 202.5
[M+CH3COO]- 395.14868 204.4
[M+Na-2H]- 357.10950 185.7
[M]+ 336.13428 182.0
[M]- 336.13538 182.0
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