CID 6419115

4-[3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]morpholine

Structural Information

Molecular Formula
C17H21N5OS
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCCN4CCOCC4
InChI
InChI=1S/C17H21N5OS/c1-21-14-6-3-2-5-13(14)15-16(21)18-17(20-19-15)24-12-4-7-22-8-10-23-11-9-22/h2-3,5-6H,4,7-12H2,1H3
InChIKey
JKZXBOKEPPQENB-UHFFFAOYSA-N
Compound name
4-[3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15395 179.4
[M+Na]+ 366.13589 189.2
[M-H]- 342.13939 181.7
[M+NH4]+ 361.18049 189.3
[M+K]+ 382.10983 183.7
[M+H-H2O]+ 326.14393 169.2
[M+HCOO]- 388.14487 188.4
[M+CH3COO]- 402.16052 188.5
[M+Na-2H]- 364.12134 181.7
[M]+ 343.14612 182.9
[M]- 343.14722 182.9
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.