CID 3038955

Brn 0554743

Structural Information

Molecular Formula
C15H18N4O
SMILES
C1CN2CC3=C(CC2CN1C(=O)N)C4=CC=CC=C4N3
InChI
InChI=1S/C15H18N4O/c16-15(20)19-6-5-18-9-14-12(7-10(18)8-19)11-3-1-2-4-13(11)17-14/h1-4,10,17H,5-9H2,(H2,16,20)
InChIKey
NRTAKDZLIOTOIZ-UHFFFAOYSA-N
Compound name
3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 162.1
[M+Na]+ 293.13729 173.5
[M+NH4]+ 288.18189 170.2
[M+K]+ 309.11123 168.9
[M-H]- 269.14079 163.6
[M+Na-2H]- 291.12274 164.6
[M]+ 270.14752 163.8
[M]- 270.14862 163.8
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.