CID 24844158

Brn 4496365

Structural Information

Molecular Formula
C16H22N4
SMILES
C1CN2CC3=C(CC2CN1CCN)C4=CC=CC=C4N3
InChI
InChI=1S/C16H22N4/c17-5-6-19-7-8-20-11-16-14(9-12(20)10-19)13-3-1-2-4-15(13)18-16/h1-4,12,18H,5-11,17H2
InChIKey
AIUSZDQAFXTLPS-UHFFFAOYSA-N
Compound name
2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.18445 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.191726 162.6
[M+Na]+ 293.173668 169.6
[M-H]- 269.177174 162.3
[M+NH4]+ 288.218273 178.6
[M+K]+ 309.147608 162.5
[M+H-H2O]+ 253.181710 153.5
[M+HCOO]- 315.182651 175.6
[M+CH3COO]- 329.198301 171.7
[M+Na-2H]- 291.159116 167.1
[M]+ 270.18390142 157.0
[M]- 270.18499858 157.0
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.