CID 12385455

Brn 0632481

Structural Information

Molecular Formula
C19H27N5O4S
SMILES
CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C
InChI
InChI=1S/C19H27N5O4S/c1-6-24(7-2)10-11-27-19-18-17(13-20-21-19)28-16-12-14(29(25,26)22(3)4)8-9-15(16)23(18)5/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKey
KUUBEVHKUSSCLQ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethoxy]-N,N,10-trimethylpyridazino[4,5-b][1,4]benzoxazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17838 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18566 200.4
[M+Na]+ 444.16760 207.3
[M-H]- 420.17110 204.5
[M+NH4]+ 439.21220 208.4
[M+K]+ 460.14154 205.9
[M+H-H2O]+ 404.17564 190.4
[M+HCOO]- 466.17658 212.1
[M+CH3COO]- 480.19223 237.2
[M+Na-2H]- 442.15305 205.7
[M]+ 421.17783 210.2
[M]- 421.17893 210.2
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.