CID 6410522

10h-pyridazino(4,5-b)(1,4)benzoxazine-10-propanamine, 1-butoxy-n,n-dimethyl-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CCCCOC1=C2C(=CN=N1)OC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C19H26N4O2/c1-4-5-13-24-19-18-17(14-20-21-19)25-16-10-7-6-9-15(16)23(18)12-8-11-22(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChIKey
GAKJMTMIYBCRPV-UHFFFAOYSA-N
Compound name
3-(1-butoxypyridazino[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

342.20557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.212846 186.4
[M+Na]+ 365.194788 193.0
[M-H]- 341.198294 188.6
[M+NH4]+ 360.239393 196.8
[M+K]+ 381.168728 190.0
[M+H-H2O]+ 325.202830 175.0
[M+HCOO]- 387.203771 202.4
[M+CH3COO]- 401.219421 220.6
[M+Na-2H]- 363.180236 192.4
[M]+ 342.20502142 192.1
[M]- 342.20611858 192.1
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.