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 198.7
[M+Na]+ 444.16760 209.7
[M+NH4]+ 439.21220 203.7
[M+K]+ 460.14154 203.3
[M-H]- 420.17110 201.1
[M+Na-2H]- 442.15305 201.7
[M]+ 421.17783 201.3
[M]- 421.17893 201.3
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.