CID 42327

57462-76-7

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCCN(C)C
InChI
InChI=1S/C14H19ClN2O2/c1-10-14(18)17(8-4-7-16(2)3)12-9-11(15)5-6-13(12)19-10/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
RJYNOQHBVQQYLW-UHFFFAOYSA-N
Compound name
6-chloro-4-[3-(dimethylamino)propyl]-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 165.2
[M+Na]+ 305.102718 173.9
[M-H]- 281.106224 170.1
[M+NH4]+ 300.147323 181.4
[M+K]+ 321.076658 171.2
[M+H-H2O]+ 265.110760 158.2
[M+HCOO]- 327.111701 180.3
[M+CH3COO]- 341.127351 207.1
[M+Na-2H]- 303.088166 168.9
[M]+ 282.11295142 170.2
[M]- 282.11404858 170.2
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.