CID 37352

Brn 0838369

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCN(CC1)C2C3=C(CCC4=C2C=C(C=C4)OC)N=CC=C3
InChI
InChI=1S/C20H25N3O/c1-22-10-12-23(13-11-22)20-17-4-3-9-21-19(17)8-6-15-5-7-16(24-2)14-18(15)20/h3-5,7,9,14,20H,6,8,10-13H2,1-2H3
InChIKey
KZKGAKPGDZFAIK-UHFFFAOYSA-N
Compound name
14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 180.2
[M+Na]+ 346.188988 185.9
[M-H]- 322.192494 184.7
[M+NH4]+ 341.233593 191.5
[M+K]+ 362.162928 183.8
[M+H-H2O]+ 306.197030 169.4
[M+HCOO]- 368.197971 192.2
[M+CH3COO]- 382.213621 188.4
[M+Na-2H]- 344.174436 183.5
[M]+ 323.19922142 174.5
[M]- 323.20031858 174.5
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.