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]+ 240.149516 155.0
[M+Na]+ 262.131458 164.3
[M-H]- 238.134964 158.4
[M+NH4]+ 257.176063 173.2
[M+K]+ 278.105398 161.3
[M+H-H2O]+ 222.139500 146.8
[M+HCOO]- 284.140441 170.9
[M+CH3COO]- 298.156091 166.4
[M+Na-2H]- 260.116906 161.5
[M]+ 239.14169142 152.9
[M]- 239.14278858 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.