CID 202882

Brn 0421001

Structural Information

Molecular Formula
C19H22N2
SMILES
CN(C)CCCC1=C2C=CC=CN2C=C1C3=CC=CC=C3
InChI
InChI=1S/C19H22N2/c1-20(2)13-8-11-17-18(16-9-4-3-5-10-16)15-21-14-7-6-12-19(17)21/h3-7,9-10,12,14-15H,8,11,13H2,1-2H3
InChIKey
RHHDHIIQQUJFIN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-phenylindolizin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.17828 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.2
[M+Na]+ 301.16750 175.1
[M-H]- 277.17100 174.9
[M+NH4]+ 296.21210 185.2
[M+K]+ 317.14144 170.3
[M+H-H2O]+ 261.17554 158.2
[M+HCOO]- 323.17648 192.1
[M+CH3COO]- 337.19213 179.6
[M+Na-2H]- 299.15295 172.1
[M]+ 278.17773 170.8
[M]- 278.17883 170.8
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