CID 3044277

Rmi 61287

Structural Information

Molecular Formula
C22H27N3
SMILES
CCNC1C2=CC=CC=C2C=C(C3=CC=CC=C13)N4CCN(CC4)C
InChI
InChI=1S/C22H27N3/c1-3-23-22-18-9-5-4-8-17(18)16-21(19-10-6-7-11-20(19)22)25-14-12-24(2)13-15-25/h4-11,16,22-23H,3,12-15H2,1-2H3
InChIKey
QXDXJSQKMFVHGV-UHFFFAOYSA-N
Compound name
N-ethyl-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22778 183.6
[M+Na]+ 356.20972 188.8
[M-H]- 332.21322 189.5
[M+NH4]+ 351.25432 195.8
[M+K]+ 372.18366 186.0
[M+H-H2O]+ 316.21776 174.0
[M+HCOO]- 378.21870 198.5
[M+CH3COO]- 392.23435 192.0
[M+Na-2H]- 354.19517 187.5
[M]+ 333.21995 177.7
[M]- 333.22105 177.7
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.