CID 42074

Rmi 61113

Structural Information

Molecular Formula
C23H24N2O
SMILES
C1CC1CN2CCN(CC2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
InChI
InChI=1S/C23H24N2O/c26-23-19-6-2-1-5-18(19)15-22(20-7-3-4-8-21(20)23)25-13-11-24(12-14-25)16-17-9-10-17/h1-8,15,17H,9-14,16H2
InChIKey
BNNMTXZEVDQOOV-UHFFFAOYSA-N
Compound name
9-[4-(cyclopropylmethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.196146 185.2
[M+Na]+ 367.178088 193.0
[M-H]- 343.181594 194.1
[M+NH4]+ 362.222693 192.4
[M+K]+ 383.152028 189.7
[M+H-H2O]+ 327.186130 175.8
[M+HCOO]- 389.187071 200.9
[M+CH3COO]- 403.202721 193.8
[M+Na-2H]- 365.163536 188.6
[M]+ 344.18832142 182.7
[M]- 344.18941858 182.7
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.