CID 6410500

Brn 1090130

Structural Information

Molecular Formula
C17H21ClN4O2
SMILES
CCN(CC)CCOC1=NN=C2C(=C1)N(C3=C(O2)C=C(C=C3)Cl)C
InChI
InChI=1S/C17H21ClN4O2/c1-4-22(5-2)8-9-23-16-11-14-17(20-19-16)24-15-10-12(18)6-7-13(15)21(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
UZMXNKQMBUVYPC-UHFFFAOYSA-N
Compound name
2-(8-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14258 183.5
[M+Na]+ 371.12452 192.7
[M-H]- 347.12802 186.3
[M+NH4]+ 366.16912 194.9
[M+K]+ 387.09846 188.8
[M+H-H2O]+ 331.13256 173.2
[M+HCOO]- 393.13350 195.6
[M+CH3COO]- 407.14915 219.5
[M+Na-2H]- 369.10997 189.4
[M]+ 348.13475 191.1
[M]- 348.13585 191.1
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.