CID 3069085

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

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C43)C
InChI
InChI=1S/C17H21N3O/c1-3-10-21-12-4-5-15-14(11-12)13-6-7-18-17-16(13)20(15)9-8-19(17)2/h4-5,11H,3,6-10H2,1-2H3
InChIKey
SKUWFSYALUMHKB-UHFFFAOYSA-N
Compound name
4-methyl-12-propoxy-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

283.16846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.6
[M+Na]+ 306.157678 177.8
[M-H]- 282.161184 170.0
[M+NH4]+ 301.202283 185.8
[M+K]+ 322.131618 172.3
[M+H-H2O]+ 266.165720 159.1
[M+HCOO]- 328.166661 183.7
[M+CH3COO]- 342.182311 179.2
[M+Na-2H]- 304.143126 173.6
[M]+ 283.16791142 171.5
[M]- 283.16900858 171.5
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.