CID 494836

Brn 4215149

Structural Information

Molecular Formula
C25H29N3O2
SMILES
COC1=CC(=C(C=C1)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56)OC
InChI
InChI=1S/C25H29N3O2/c1-29-16-10-11-19(22(15-16)30-2)25-27-13-6-5-9-21(27)24-23-18(12-14-28(24)25)17-7-3-4-8-20(17)26-23/h3-4,7-8,10-11,15,21,24-26H,5-6,9,12-14H2,1-2H3
InChIKey
OPAURFWSUNCBPO-UHFFFAOYSA-N
Compound name
9-(2,4-dimethoxyphenyl)-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.23326 201.0
[M+Na]+ 426.21520 214.7
[M+NH4]+ 421.25980 210.0
[M+K]+ 442.18914 209.3
[M-H]- 402.21870 205.3
[M+Na-2H]- 424.20065 203.3
[M]+ 403.22543 204.2
[M]- 403.22653 204.2
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.