CID 5271114

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

Structural Information

Molecular Formula
C14H17N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCOC
InChI
InChI=1S/C14H17N5O/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
MRUKFQTYAMVHKV-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)-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

271.1433 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.150576 162.6
[M+Na]+ 294.132518 173.5
[M-H]- 270.136024 163.5
[M+NH4]+ 289.177123 177.6
[M+K]+ 310.106458 168.4
[M+H-H2O]+ 254.140560 152.9
[M+HCOO]- 316.141501 183.2
[M+CH3COO]- 330.157151 174.1
[M+Na-2H]- 292.117966 170.8
[M]+ 271.14275142 167.9
[M]- 271.14384858 167.9
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.