CID 3039891

Cpg 146

Structural Information

Molecular Formula
C22H23N
SMILES
CN(C)C1CCC2(C=C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C22H23N/c1-23(2)19-13-15-22(16-14-19)20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-13,15,19H,14,16H2,1-2H3
InChIKey
ORXTVQOLXMMTBD-UHFFFAOYSA-N
Compound name
N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.18304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19032 173.1
[M+Na]+ 324.17226 179.1
[M-H]- 300.17576 182.4
[M+NH4]+ 319.21686 191.7
[M+K]+ 340.14620 177.0
[M+H-H2O]+ 284.18030 166.3
[M+HCOO]- 346.18124 192.3
[M+CH3COO]- 360.19689 183.9
[M+Na-2H]- 322.15771 179.7
[M]+ 301.18249 168.7
[M]- 301.18359 168.7
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

patents stripe