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 160.2
[M+Na]+ 276.14712 170.0
[M-H]- 252.15062 163.8
[M+NH4]+ 271.19172 178.1
[M+K]+ 292.12106 166.8
[M+H-H2O]+ 236.15516 152.0
[M+HCOO]- 298.15610 175.7
[M+CH3COO]- 312.17175 171.4
[M+Na-2H]- 274.13257 165.5
[M]+ 253.15735 158.7
[M]- 253.15845 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.