CID 3069084

1h-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-4,9-dimethyl-

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C43)C
InChI
InChI=1S/C15H17N3/c1-10-3-4-13-12(9-10)11-5-6-16-15-14(11)18(13)8-7-17(15)2/h3-4,9H,5-8H2,1-2H3
InChIKey
BNAAXCFCKNINAU-UHFFFAOYSA-N
Compound name
4,12-dimethyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-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 156.3
[M+Na]+ 262.13146 166.7
[M-H]- 238.13496 158.1
[M+NH4]+ 257.17606 175.5
[M+K]+ 278.10540 160.9
[M+H-H2O]+ 222.13950 147.3
[M+HCOO]- 284.14044 172.0
[M+CH3COO]- 298.15609 168.0
[M+Na-2H]- 260.11691 162.3
[M]+ 239.14169 157.2
[M]- 239.14279 157.2
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.