CID 5464858

Nsc364579

Structural Information

Molecular Formula
C18H21N5O2
SMILES
C1COCCN1C2=NN=C(C3=C2C4=CC=CC=C4N3)N5CCOCC5
InChI
InChI=1S/C18H21N5O2/c1-2-4-14-13(3-1)15-16(19-14)18(23-7-11-25-12-8-23)21-20-17(15)22-5-9-24-10-6-22/h1-4,19H,5-12H2
InChIKey
CTNVJORUCPHJDT-UHFFFAOYSA-N
Compound name
4-(1-morpholin-4-yl-5H-pyridazino[4,5-b]indol-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16953 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.176806 180.0
[M+Na]+ 362.158748 186.1
[M-H]- 338.162254 183.5
[M+NH4]+ 357.203353 185.8
[M+K]+ 378.132688 181.2
[M+H-H2O]+ 322.166790 167.1
[M+HCOO]- 384.167731 187.2
[M+CH3COO]- 398.183381 187.1
[M+Na-2H]- 360.144196 182.6
[M]+ 339.16898142 174.5
[M]- 339.17007858 174.5
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.