CID 3065546

6-chloro-n,n-diethyl-3-(diethylamino)-7-methyl-2h-1,4-benzoxazine-2-carboxamide

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
CCN(CC)C1=NC2=C(C=C(C(=C2)Cl)C)OC1C(=O)N(CC)CC
InChI
InChI=1S/C18H26ClN3O2/c1-6-21(7-2)17-16(18(23)22(8-3)9-4)24-15-10-12(5)13(19)11-14(15)20-17/h10-11,16H,6-9H2,1-5H3
InChIKey
PUOFREKUUKORGQ-UHFFFAOYSA-N
Compound name
6-chloro-3-(diethylamino)-N,N-diethyl-7-methyl-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.17136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 188.1
[M+Na]+ 374.16058 195.1
[M-H]- 350.16408 194.2
[M+NH4]+ 369.20518 201.8
[M+K]+ 390.13452 193.3
[M+H-H2O]+ 334.16862 180.0
[M+HCOO]- 396.16956 203.8
[M+CH3COO]- 410.18521 226.7
[M+Na-2H]- 372.14603 189.1
[M]+ 351.17081 195.8
[M]- 351.17191 195.8
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.