CID 5271128

3-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C20H21N5O
SMILES
C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)NCCCO
InChI
InChI=1S/C20H21N5O/c26-14-6-12-21-20-22-19-18(23-24-20)16-9-4-5-10-17(16)25(19)13-11-15-7-2-1-3-8-15/h1-5,7-10,26H,6,11-14H2,(H,21,22,24)
InChIKey
RPZHFRJNGCCHIT-UHFFFAOYSA-N
Compound name
3-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.17462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 182.2
[M+Na]+ 370.16384 191.0
[M-H]- 346.16734 184.4
[M+NH4]+ 365.20844 192.6
[M+K]+ 386.13778 183.0
[M+H-H2O]+ 330.17188 170.8
[M+HCOO]- 392.17282 200.4
[M+CH3COO]- 406.18847 191.3
[M+Na-2H]- 368.14929 189.3
[M]+ 347.17407 184.9
[M]- 347.17517 184.9
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.