CID 6477536

Nsc686408

Structural Information

Molecular Formula
C25H21N3O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3C(=O)O2)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H21N3O3/c1-28(2)19-14-12-17(13-15-19)16-22(26-23(29)18-8-4-3-5-9-18)24-27-21-11-7-6-10-20(21)25(30)31-24/h3-16H,1-2H3,(H,26,29)/b22-16-
InChIKey
MWSGCWVVOJTXNO-JWGURIENSA-N
Compound name
N-[(Z)-2-[4-(dimethylamino)phenyl]-1-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1583 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 200.8
[M+Na]+ 434.14752 206.2
[M-H]- 410.15102 211.5
[M+NH4]+ 429.19212 208.4
[M+K]+ 450.12146 202.3
[M+H-H2O]+ 394.15556 188.8
[M+HCOO]- 456.15650 221.4
[M+CH3COO]- 470.17215 209.7
[M+Na-2H]- 432.13297 204.9
[M]+ 411.15775 202.2
[M]- 411.15885 202.2
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.