CID 6449473

123172-63-4

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O)C
InChI
InChI=1S/C19H17NO4/c1-12-19(23)20(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21H,1-2H3/b10-5+
InChIKey
KAGLCVWAMJWCFL-BJMVGYQFSA-N
Compound name
7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 175.3
[M+Na]+ 346.104968 183.6
[M-H]- 322.108474 181.1
[M+NH4]+ 341.149573 187.3
[M+K]+ 362.078908 179.6
[M+H-H2O]+ 306.113010 166.7
[M+HCOO]- 368.113951 191.4
[M+CH3COO]- 382.129601 208.2
[M+Na-2H]- 344.090416 177.5
[M]+ 323.11520142 176.2
[M]- 323.11629858 176.2
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.