CID 3065546

108401-73-6

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]+ 352.178636 188.1
[M+Na]+ 374.160578 195.1
[M-H]- 350.164084 194.2
[M+NH4]+ 369.205183 201.8
[M+K]+ 390.134518 193.3
[M+H-H2O]+ 334.168620 180.0
[M+HCOO]- 396.169561 203.8
[M+CH3COO]- 410.185211 226.7
[M+Na-2H]- 372.146026 189.1
[M]+ 351.17081142 195.8
[M]- 351.17190858 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.