CID 3078009

136629-00-0

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C(=C)CN3CCOCC3)C
InChI
InChI=1S/C18H22N2O4/c1-12(11-20-6-8-23-9-7-20)17(21)14-4-5-15-16(10-14)24-13(2)18(22)19(15)3/h4-5,10,13H,1,6-9,11H2,2-3H3
InChIKey
JNSHACWNHRUZCF-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-[2-(morpholin-4-ylmethyl)prop-2-enoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 179.7
[M+Na]+ 353.14718 184.7
[M-H]- 329.15068 184.6
[M+NH4]+ 348.19178 188.6
[M+K]+ 369.12112 183.3
[M+H-H2O]+ 313.15522 170.0
[M+HCOO]- 375.15616 189.9
[M+CH3COO]- 389.17181 212.1
[M+Na-2H]- 351.13263 179.8
[M]+ 330.15741 177.9
[M]- 330.15851 177.9
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.