CID 379725

Nsc664699

Structural Information

Molecular Formula
C14H18N4O
SMILES
C1CNC(N(C1=O)CCC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C14H18N4O/c15-14-16-7-5-13(19)18(14)8-6-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,14,16-17H,5-8,15H2
InChIKey
YVUAKPCSUSVZIF-UHFFFAOYSA-N
Compound name
2-amino-3-[2-(1H-indol-3-yl)ethyl]-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 159.8
[M+Na]+ 281.13729 167.1
[M-H]- 257.14079 160.3
[M+NH4]+ 276.18189 173.5
[M+K]+ 297.11123 160.3
[M+H-H2O]+ 241.14533 151.0
[M+HCOO]- 303.14627 175.8
[M+CH3COO]- 317.16192 169.4
[M+Na-2H]- 279.12274 162.7
[M]+ 258.14752 153.9
[M]- 258.14862 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.