CID 3041511

3,4,11b-triazacyclohepta(j,k)fluorene, 1,2,3,5,6,7-hexahydro-3-methyl-

Structural Information

Molecular Formula
C15H17N3
SMILES
CN1CCN2C3=CC=CC=C3C4=C2C1=NCCC4
InChI
InChI=1S/C15H17N3/c1-17-9-10-18-13-7-3-2-5-11(13)12-6-4-8-16-15(17)14(12)18/h2-3,5,7H,4,6,8-10H2,1H3
InChIKey
KVOYLUGRXDJWJI-UHFFFAOYSA-N
Compound name
4-methyl-1,4,6-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-5,10(17),11,13,15-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 152.3
[M+Na]+ 262.13146 165.1
[M+NH4]+ 257.17606 161.5
[M+K]+ 278.10540 160.1
[M-H]- 238.13496 154.4
[M+Na-2H]- 260.11691 157.3
[M]+ 239.14169 154.9
[M]- 239.14279 154.9
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.