CID 6419114

N,n-dimethyl-1-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methanamine

Structural Information

Molecular Formula
C13H15N5S
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN(C)C
InChI
InChI=1S/C13H15N5S/c1-17(2)8-19-13-14-12-11(15-16-13)9-6-4-5-7-10(9)18(12)3/h4-7H,8H2,1-3H3
InChIKey
RXYFSSHDLQAYAS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.10483 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11211 160.7
[M+Na]+ 296.09405 173.1
[M-H]- 272.09755 163.5
[M+NH4]+ 291.13865 177.4
[M+K]+ 312.06799 168.4
[M+H-H2O]+ 256.10209 152.4
[M+HCOO]- 318.10303 177.2
[M+CH3COO]- 332.11868 173.1
[M+Na-2H]- 294.07950 165.9
[M]+ 273.10428 168.1
[M]- 273.10538 168.1
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.