CID 302044

36047-96-8

Structural Information

Molecular Formula
C14H17N5O
SMILES
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO
InChI
InChI=1S/C14H17N5O/c1-2-19-11-7-4-3-6-10(11)12-13(19)16-14(18-17-12)15-8-5-9-20/h3-4,6-7,20H,2,5,8-9H2,1H3,(H,15,16,18)
InChIKey
BHDPDPOTBJSYME-UHFFFAOYSA-N
Compound name
3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.1433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 162.6
[M+Na]+ 294.13252 173.0
[M-H]- 270.13602 162.1
[M+NH4]+ 289.17712 176.9
[M+K]+ 310.10646 167.1
[M+H-H2O]+ 254.14056 153.3
[M+HCOO]- 316.14150 181.7
[M+CH3COO]- 330.15715 173.5
[M+Na-2H]- 292.11797 170.4
[M]+ 271.14275 166.1
[M]- 271.14385 166.1
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.