CID 321683

Nsc274559

Structural Information

Molecular Formula
C19H16Cl2N2O
SMILES
CC1=CC2=C(C3=C1C=CC=N3)OCN(C2)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H16Cl2N2O/c1-12-7-14-10-23(9-13-4-5-16(20)17(21)8-13)11-24-19(14)18-15(12)3-2-6-22-18/h2-8H,9-11H2,1H3
InChIKey
KDEITHYFXWZGMV-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl]-6-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06396 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07124 182.7
[M+Na]+ 381.05318 193.4
[M-H]- 357.05668 187.7
[M+NH4]+ 376.09778 194.9
[M+K]+ 397.02712 186.3
[M+H-H2O]+ 341.06122 172.8
[M+HCOO]- 403.06216 188.4
[M+CH3COO]- 417.07781 192.4
[M+Na-2H]- 379.03863 187.1
[M]+ 358.06341 186.2
[M]- 358.06451 186.2
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.