CID 6410524

10h-pyridazino(4,5-b)(1,4)benzoxazine-10-propanamine, 1-chloro-n,n-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C15H17ClN4O
SMILES
CN(C)CCCN1C2=CC=CC=C2OC3=CN=NC(=C31)Cl
InChI
InChI=1S/C15H17ClN4O/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-13-10-17-18-15(16)14(13)20/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey
OBPHCMDJZSKBEO-UHFFFAOYSA-N
Compound name
3-(1-chloropyridazino[4,5-b][1,4]benzoxazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1091 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11638 170.8
[M+Na]+ 327.09832 180.1
[M-H]- 303.10182 173.4
[M+NH4]+ 322.14292 183.7
[M+K]+ 343.07226 176.0
[M+H-H2O]+ 287.10636 160.7
[M+HCOO]- 349.10730 183.3
[M+CH3COO]- 363.12295 181.3
[M+Na-2H]- 325.08377 178.4
[M]+ 304.10855 175.9
[M]- 304.10965 175.9
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.