CID 468697

N2,n3-bis(p-tolyl)-4h-1,4-benzoxazine-2,3-diimine

Structural Information

Molecular Formula
C22H19N3O
SMILES
CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2=NC4=CC=C(C=C4)C
InChI
InChI=1S/C22H19N3O/c1-15-7-11-17(12-8-15)23-21-22(24-18-13-9-16(2)10-14-18)26-20-6-4-3-5-19(20)25-21/h3-14H,1-2H3,(H,23,25)
InChIKey
QBBQXGWTAWEVJG-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-(4-methylphenyl)imino-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1528 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16008 183.5
[M+Na]+ 364.14202 192.2
[M-H]- 340.14552 194.9
[M+NH4]+ 359.18662 195.0
[M+K]+ 380.11596 186.7
[M+H-H2O]+ 324.15006 172.0
[M+HCOO]- 386.15100 207.5
[M+CH3COO]- 400.16665 194.7
[M+Na-2H]- 362.12747 191.6
[M]+ 341.15225 184.9
[M]- 341.15335 184.9
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.