CID 202881

Brn 0482514

Structural Information

Molecular Formula
C17H18N2
SMILES
CN(C)CC1=C2C=CC=CN2C=C1C3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-18(2)12-16-15(14-8-4-3-5-9-14)13-19-11-7-6-10-17(16)19/h3-11,13H,12H2,1-2H3
InChIKey
CWZHFLRQJUOTAI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-phenylindolizin-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 157.7
[M+Na]+ 273.136218 166.6
[M-H]- 249.139724 165.9
[M+NH4]+ 268.180823 176.9
[M+K]+ 289.110158 162.2
[M+H-H2O]+ 233.144260 149.2
[M+HCOO]- 295.145201 183.4
[M+CH3COO]- 309.160851 171.1
[M+Na-2H]- 271.121666 163.8
[M]+ 250.14645142 160.7
[M]- 250.14754858 160.7
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