CID 42305

57462-61-0

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCN(C)C
InChI
InChI=1S/C13H17ClN2O2/c1-9-13(17)16(7-6-15(2)3)11-8-10(14)4-5-12(11)18-9/h4-5,8-9H,6-7H2,1-3H3
InChIKey
SSUZPBROOWSAEZ-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(dimethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 160.4
[M+Na]+ 291.087088 169.5
[M-H]- 267.090594 165.5
[M+NH4]+ 286.131693 177.2
[M+K]+ 307.061028 167.1
[M+H-H2O]+ 251.095130 153.7
[M+HCOO]- 313.096071 175.9
[M+CH3COO]- 327.111721 204.1
[M+Na-2H]- 289.072536 164.7
[M]+ 268.09732142 165.1
[M]- 268.09841858 165.1
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.