CID 5271120

Akos004940352

Structural Information

Molecular Formula
C17H22N6O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCN4CCOCC4
InChI
InChI=1S/C17H22N6O/c1-22-14-6-3-2-5-13(14)15-16(22)19-17(21-20-15)18-7-4-8-23-9-11-24-12-10-23/h2-3,5-6H,4,7-12H2,1H3,(H,18,19,21)
InChIKey
LIQDOXZUQNMLAS-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.18552 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19280 178.4
[M+Na]+ 349.17474 186.2
[M-H]- 325.17824 180.3
[M+NH4]+ 344.21934 187.5
[M+K]+ 365.14868 180.8
[M+H-H2O]+ 309.18278 166.2
[M+HCOO]- 371.18372 192.4
[M+CH3COO]- 385.19937 187.0
[M+Na-2H]- 347.16019 184.0
[M]+ 326.18497 178.7
[M]- 326.18607 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.