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 155.0
[M+Na]+ 262.13146 164.3
[M-H]- 238.13496 158.4
[M+NH4]+ 257.17606 173.2
[M+K]+ 278.10540 161.3
[M+H-H2O]+ 222.13950 146.8
[M+HCOO]- 284.14044 170.9
[M+CH3COO]- 298.15609 166.4
[M+Na-2H]- 260.11691 161.5
[M]+ 239.14169 152.9
[M]- 239.14279 152.9
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.