CID 6410515

64610-74-8

Structural Information

Molecular Formula
C20H28N6O
SMILES
CN1CCN(CC1)C2=C3C(=CN=N2)OC4=CC=CC=C4N3CCCN(C)C
InChI
InChI=1S/C20H28N6O/c1-23(2)9-6-10-26-16-7-4-5-8-17(16)27-18-15-21-22-20(19(18)26)25-13-11-24(3)12-14-25/h4-5,7-8,15H,6,9-14H2,1-3H3
InChIKey
VHPHTUMBZKLNKG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazin-10-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.23245 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23973 196.2
[M+Na]+ 391.22167 201.7
[M-H]- 367.22517 198.1
[M+NH4]+ 386.26627 202.1
[M+K]+ 407.19561 196.9
[M+H-H2O]+ 351.22971 182.2
[M+HCOO]- 413.23065 205.7
[M+CH3COO]- 427.24630 202.7
[M+Na-2H]- 389.20712 199.8
[M]+ 368.23190 195.1
[M]- 368.23300 195.1
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.