CID 42333

57462-79-0

Structural Information

Molecular Formula
C17H24ClN3O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCCN3CCN(CC3)C
InChI
InChI=1S/C17H24ClN3O2/c1-13-17(22)21(15-12-14(18)4-5-16(15)23-13)7-3-6-20-10-8-19(2)9-11-20/h4-5,12-13H,3,6-11H2,1-2H3
InChIKey
SJPKVXCZEIRDCO-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16298 183.7
[M+Na]+ 360.14492 190.8
[M-H]- 336.14842 186.4
[M+NH4]+ 355.18952 193.8
[M+K]+ 376.11886 185.8
[M+H-H2O]+ 320.15296 173.3
[M+HCOO]- 382.15390 190.2
[M+CH3COO]- 396.16955 192.0
[M+Na-2H]- 358.13037 184.1
[M]+ 337.15515 183.4
[M]- 337.15625 183.4
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.