CID 5271116

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

Structural Information

Molecular Formula
C15H20N6
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCN(C)C
InChI
InChI=1S/C15H20N6/c1-20(2)10-6-9-16-15-17-14-13(18-19-15)11-7-4-5-8-12(11)21(14)3/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17,19)
InChIKey
RCPXUAJJUYQUOY-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-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

284.17496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18224 167.5
[M+Na]+ 307.16418 177.2
[M-H]- 283.16768 169.6
[M+NH4]+ 302.20878 182.3
[M+K]+ 323.13812 172.7
[M+H-H2O]+ 267.17222 157.3
[M+HCOO]- 329.17316 189.1
[M+CH3COO]- 343.18881 178.7
[M+Na-2H]- 305.14963 175.2
[M]+ 284.17441 172.3
[M]- 284.17551 172.3
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.