CID 3069090

1,2,4,5,6,7-hexahydro-2,4-dimethyl-3,4,7a-triazacyclohepta(j,k)fluorene

Structural Information

Molecular Formula
C16H19N3
SMILES
CC1CC2=C3C(=N1)N(CCCN3C4=CC=CC=C24)C
InChI
InChI=1S/C16H19N3/c1-11-10-13-12-6-3-4-7-14(12)19-9-5-8-18(2)16(17-11)15(13)19/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKey
DTWQACWQFXKNTN-UHFFFAOYSA-N
Compound name
3,6-dimethyl-4,6,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),4,11,13,15-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 156.9
[M+Na]+ 276.14712 169.9
[M+NH4]+ 271.19172 165.9
[M+K]+ 292.12106 164.8
[M-H]- 252.15062 159.1
[M+Na-2H]- 274.13257 161.4
[M]+ 253.15735 159.6
[M]- 253.15845 159.6
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.