CID 6414498

3993-22-4

Structural Information

Molecular Formula
C14H15N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)N4CCOCC4
InChI
InChI=1S/C14H15N5O/c1-18-11-5-3-2-4-10(11)12-13(18)15-14(17-16-12)19-6-8-20-9-7-19/h2-5H,6-9H2,1H3
InChIKey
GHNRJHPIUUALHH-UHFFFAOYSA-N
Compound name
4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.12766 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 163.1
[M+Na]+ 292.11688 173.3
[M-H]- 268.12038 165.5
[M+NH4]+ 287.16148 174.9
[M+K]+ 308.09082 168.5
[M+H-H2O]+ 252.12492 151.7
[M+HCOO]- 314.12586 177.1
[M+CH3COO]- 328.14151 173.5
[M+Na-2H]- 290.10233 169.2
[M]+ 269.12711 163.0
[M]- 269.12821 163.0
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.