CID 6419112

N-ethyl-n-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]ethanamine

Structural Information

Molecular Formula
C15H19N5S
SMILES
CCN(CC)CSC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C15H19N5S/c1-4-20(5-2)10-21-15-16-14-13(17-18-15)11-8-6-7-9-12(11)19(14)3/h6-9H,4-5,10H2,1-3H3
InChIKey
SAWDLAGGZYUMEH-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14338 169.5
[M+Na]+ 324.12532 180.9
[M-H]- 300.12882 171.8
[M+NH4]+ 319.16992 184.9
[M+K]+ 340.09926 175.8
[M+H-H2O]+ 284.13336 160.7
[M+HCOO]- 346.13430 185.3
[M+CH3COO]- 360.14995 180.9
[M+Na-2H]- 322.11077 173.7
[M]+ 301.13555 177.5
[M]- 301.13665 177.5
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.