CID 3716121

Fauc-3019

Structural Information

Molecular Formula
C22H24N2O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3=C4C=CC=CC=C4C=C3
InChI
InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
InChIKey
MNVDCQLMHFFYCU-UHFFFAOYSA-N
Compound name
1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

332.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 182.6
[M+Na]+ 355.17809 188.2
[M-H]- 331.18159 191.1
[M+NH4]+ 350.22269 195.3
[M+K]+ 371.15203 185.6
[M+H-H2O]+ 315.18613 172.9
[M+HCOO]- 377.18707 200.3
[M+CH3COO]- 391.20272 192.0
[M+Na-2H]- 353.16354 183.9
[M]+ 332.18832 178.9
[M]- 332.18942 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe