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]+ 254.165176 160.2
[M+Na]+ 276.147118 170.0
[M-H]- 252.150624 163.8
[M+NH4]+ 271.191723 178.1
[M+K]+ 292.121058 166.8
[M+H-H2O]+ 236.155160 152.0
[M+HCOO]- 298.156101 175.7
[M+CH3COO]- 312.171751 171.4
[M+Na-2H]- 274.132566 165.5
[M]+ 253.15735142 158.7
[M]- 253.15844858 158.7
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.