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]+ 272.15058 162.6
[M+Na]+ 294.13252 173.5
[M-H]- 270.13602 163.5
[M+NH4]+ 289.17712 177.6
[M+K]+ 310.10646 168.4
[M+H-H2O]+ 254.14056 152.9
[M+HCOO]- 316.14150 183.2
[M+CH3COO]- 330.15715 174.1
[M+Na-2H]- 292.11797 170.8
[M]+ 271.14275 167.9
[M]- 271.14385 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.