CID 326323

50595-08-9

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
COC1=CC=C(C=C1)CN2CC3=CC(=C4C=CC=NC4=C3OC2)Cl
InChI
InChI=1S/C19H17ClN2O2/c1-23-15-6-4-13(5-7-15)10-22-11-14-9-17(20)16-3-2-8-21-18(16)19(14)24-12-22/h2-9H,10-12H2,1H3
InChIKey
GOJMNOCHCBQJDN-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09787 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 179.3
[M+Na]+ 363.08709 188.7
[M-H]- 339.09059 185.0
[M+NH4]+ 358.13169 191.4
[M+K]+ 379.06103 183.0
[M+H-H2O]+ 323.09513 168.8
[M+HCOO]- 385.09607 190.4
[M+CH3COO]- 399.11172 189.4
[M+Na-2H]- 361.07254 185.5
[M]+ 340.09732 182.5
[M]- 340.09842 182.5
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.