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]+ 343.21285 186.4
[M+Na]+ 365.19479 193.0
[M-H]- 341.19829 188.6
[M+NH4]+ 360.23939 196.8
[M+K]+ 381.16873 190.0
[M+H-H2O]+ 325.20283 175.0
[M+HCOO]- 387.20377 202.4
[M+CH3COO]- 401.21942 220.6
[M+Na-2H]- 363.18024 192.4
[M]+ 342.20502 192.1
[M]- 342.20612 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.