CID 5378670

2702-44-5

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1=CC2=C(C=C1C)OC(=N2)/C=C/C3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C19H17NO3/c1-12-10-16-17(11-13(12)2)23-18(20-16)9-6-14-4-7-15(8-5-14)19(21)22-3/h4-11H,1-3H3/b9-6+
InChIKey
QLAXRNXBCBELEB-RMKNXTFCSA-N
Compound name
methyl 4-[(E)-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

307.12085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.128126 172.0
[M+Na]+ 330.110068 182.8
[M-H]- 306.113574 180.2
[M+NH4]+ 325.154673 187.6
[M+K]+ 346.084008 179.0
[M+H-H2O]+ 290.118110 164.2
[M+HCOO]- 352.119051 194.5
[M+CH3COO]- 366.134701 205.7
[M+Na-2H]- 328.095516 175.3
[M]+ 307.12030142 178.6
[M]- 307.12139858 178.6
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