CID 468696

887580-71-4

Structural Information

Molecular Formula
C22H19N3O3
SMILES
COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2=NC4=CC=C(C=C4)OC
InChI
InChI=1S/C22H19N3O3/c1-26-17-11-7-15(8-12-17)23-21-22(24-16-9-13-18(27-2)14-10-16)28-20-6-4-3-5-19(20)25-21/h3-14H,1-2H3,(H,23,25)
InChIKey
NFWOFGMGAUYLAF-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

373.14264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 189.3
[M+Na]+ 396.13186 197.5
[M-H]- 372.13536 200.7
[M+NH4]+ 391.17646 199.2
[M+K]+ 412.10580 193.5
[M+H-H2O]+ 356.13990 177.3
[M+HCOO]- 418.14084 213.6
[M+CH3COO]- 432.15649 200.1
[M+Na-2H]- 394.11731 197.6
[M]+ 373.14209 193.4
[M]- 373.14319 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.