CID 3044276

Rmi 61281

Structural Information

Molecular Formula
C22H27N3
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3C(C4=CC=CC=C42)N(C)C
InChI
InChI=1S/C22H27N3/c1-23(2)22-18-9-5-4-8-17(18)16-21(19-10-6-7-11-20(19)22)25-14-12-24(3)13-15-25/h4-11,16,22H,12-15H2,1-3H3
InChIKey
OPSXBPZMCINMFH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22778 182.8
[M+Na]+ 356.20972 188.1
[M-H]- 332.21322 190.1
[M+NH4]+ 351.25432 195.6
[M+K]+ 372.18366 186.6
[M+H-H2O]+ 316.21776 173.1
[M+HCOO]- 378.21870 198.2
[M+CH3COO]- 392.23435 191.8
[M+Na-2H]- 354.19517 186.1
[M]+ 333.21995 178.0
[M]- 333.22105 178.0
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.