CID 6419117

N,n-diethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C14H17N5
SMILES
CCN(CC)C1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C14H17N5/c1-4-19(5-2)14-15-13-12(16-17-14)10-8-6-7-9-11(10)18(13)3/h6-9H,4-5H2,1-3H3
InChIKey
BGRBALCBKBWJAF-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.14839 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 160.3
[M+Na]+ 278.13761 171.4
[M-H]- 254.14111 162.6
[M+NH4]+ 273.18221 176.7
[M+K]+ 294.11155 167.0
[M+H-H2O]+ 238.14565 150.5
[M+HCOO]- 300.14659 181.2
[M+CH3COO]- 314.16224 172.5
[M+Na-2H]- 276.12306 167.6
[M]+ 255.14784 165.4
[M]- 255.14894 165.4
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.