CID 3033736

88763-19-3

Structural Information

Molecular Formula
C19H22N2
SMILES
CC1=C(C=C(C=C1)[C@H]2[C@H]3CCCN[C@H]3C4=CC=CC=C24)N
InChI
InChI=1S/C19H22N2/c1-12-8-9-13(11-17(12)20)18-14-5-2-3-6-15(14)19-16(18)7-4-10-21-19/h2-3,5-6,8-9,11,16,18-19,21H,4,7,10,20H2,1H3/t16-,18-,19+/m1/s1
InChIKey
OALOQDOGDUFPCR-QRQLOZEOSA-N
Compound name
5-[(4aR,5R,9bR)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 166.2
[M+Na]+ 301.16750 172.8
[M-H]- 277.17100 171.1
[M+NH4]+ 296.21210 183.7
[M+K]+ 317.14144 165.5
[M+H-H2O]+ 261.17554 158.3
[M+HCOO]- 323.17648 182.5
[M+CH3COO]- 337.19213 176.3
[M+Na-2H]- 299.15295 168.0
[M]+ 278.17773 159.7
[M]- 278.17883 159.7
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.