CID 5271131

N'-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)propane-1,3-diamine

Structural Information

Molecular Formula
C13H16N6
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCN
InChI
InChI=1S/C13H16N6/c1-19-10-6-3-2-5-9(10)11-12(19)16-13(18-17-11)15-8-4-7-14/h2-3,5-6H,4,7-8,14H2,1H3,(H,15,16,18)
InChIKey
YKGNSYPSHASMOJ-UHFFFAOYSA-N
Compound name
N'-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.14365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15093 157.8
[M+Na]+ 279.13287 168.5
[M-H]- 255.13637 158.4
[M+NH4]+ 274.17747 173.0
[M+K]+ 295.10681 162.7
[M+H-H2O]+ 239.14091 148.3
[M+HCOO]- 301.14185 179.1
[M+CH3COO]- 315.15750 169.2
[M+Na-2H]- 277.11832 166.4
[M]+ 256.14310 159.9
[M]- 256.14420 159.9
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.