CID 3044275

Rmi 61559

Structural Information

Molecular Formula
C24H31N3
SMILES
CCN(CC)C1C2=CC=CC=C2C=C(C3=CC=CC=C13)N4CCN(CC4)C
InChI
InChI=1S/C24H31N3/c1-4-26(5-2)24-20-11-7-6-10-19(20)18-23(21-12-8-9-13-22(21)24)27-16-14-25(3)15-17-27/h6-13,18,24H,4-5,14-17H2,1-3H3
InChIKey
DAPPREGZHUATMO-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

361.2518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 191.6
[M+Na]+ 384.24102 195.9
[M-H]- 360.24452 198.4
[M+NH4]+ 379.28562 203.1
[M+K]+ 400.21496 194.0
[M+H-H2O]+ 344.24906 181.3
[M+HCOO]- 406.25000 206.2
[M+CH3COO]- 420.26565 199.6
[M+Na-2H]- 382.22647 193.8
[M]+ 361.25125 187.3
[M]- 361.25235 187.3
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.