CID 3069088

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

Structural Information

Molecular Formula
C22H23N3O
SMILES
CC1CC2=C3C(=N1)N(CCN3C4=C2C=C(C=C4)OCC5=CC=CC=C5)C
InChI
InChI=1S/C22H23N3O/c1-15-12-19-18-13-17(26-14-16-6-4-3-5-7-16)8-9-20(18)25-11-10-24(2)22(23-15)21(19)25/h3-9,13,15H,10-12,14H2,1-2H3
InChIKey
HCZVJNFOZOAYRA-UHFFFAOYSA-N
Compound name
4,7-dimethyl-12-phenylmethoxy-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

345.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 185.0
[M+Na]+ 368.17332 202.1
[M+NH4]+ 363.21792 194.7
[M+K]+ 384.14726 193.7
[M-H]- 344.17682 190.0
[M+Na-2H]- 366.15877 191.2
[M]+ 345.18355 189.2
[M]- 345.18465 189.2
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.