CID 5271125

5-methyl-n-(3-methylsulfanylpropyl)-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C14H17N5S
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCSC
InChI
InChI=1S/C14H17N5S/c1-19-11-7-4-3-6-10(11)12-13(19)16-14(18-17-12)15-8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,16,18)
InChIKey
LJKFLEXQESTSCU-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylsulfanylpropyl)-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12773 164.1
[M+Na]+ 310.10967 176.0
[M-H]- 286.11317 165.2
[M+NH4]+ 305.15427 179.6
[M+K]+ 326.08361 169.8
[M+H-H2O]+ 270.11771 155.8
[M+HCOO]- 332.11865 179.9
[M+CH3COO]- 346.13430 175.6
[M+Na-2H]- 308.09512 169.6
[M]+ 287.11990 170.6
[M]- 287.12100 170.6
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.