CID 321682

Nsc274558

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
CC1=CC2=C(C3=C1C=CC=N3)OCN(C2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN2O/c1-13-9-15-11-22(10-14-4-6-16(20)7-5-14)12-23-19(15)18-17(13)3-2-8-21-18/h2-9H,10-12H2,1H3
InChIKey
QMZSAWNFUFZLDX-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)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

324.10294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 176.5
[M+Na]+ 347.09216 186.1
[M-H]- 323.09566 182.2
[M+NH4]+ 342.13676 189.4
[M+K]+ 363.06610 179.7
[M+H-H2O]+ 307.10020 166.1
[M+HCOO]- 369.10114 187.4
[M+CH3COO]- 383.11679 186.8
[M+Na-2H]- 345.07761 182.6
[M]+ 324.10239 178.3
[M]- 324.10349 178.3
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.