CID 391341

Nsc690371

Structural Information

Molecular Formula
C15H15N3
SMILES
C1CCC2=CN3C4=CC=CC=C4N=C3N=C2CC1
InChI
InChI=1S/C15H15N3/c1-2-6-11-10-18-14-9-5-4-8-13(14)17-15(18)16-12(11)7-3-1/h4-5,8-10H,1-3,6-7H2
InChIKey
ZRYGTXVXOIURCF-UHFFFAOYSA-N
Compound name
2,11,18-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1(18),2,9,12,14,16-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.4
[M+Na]+ 260.11582 161.9
[M-H]- 236.11932 156.5
[M+NH4]+ 255.16042 170.2
[M+K]+ 276.08976 158.7
[M+H-H2O]+ 220.12386 144.1
[M+HCOO]- 282.12480 169.6
[M+CH3COO]- 296.14045 164.0
[M+Na-2H]- 258.10127 160.3
[M]+ 237.12605 149.5
[M]- 237.12715 149.5
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.