CID 393502

Nsc695564

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(CN(C)C)OC(=O)C1=CC2=CC=CC=C2N1C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-15(14-21(2)3)24-20(23)19-13-16-9-7-8-12-18(16)22(19)17-10-5-4-6-11-17/h4-13,15H,14H2,1-3H3
InChIKey
UWPAMIJJYGFEEM-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-yl 1-phenylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.2
[M+Na]+ 345.15734 184.9
[M-H]- 321.16084 186.0
[M+NH4]+ 340.20194 193.9
[M+K]+ 361.13128 181.7
[M+H-H2O]+ 305.16538 169.1
[M+HCOO]- 367.16632 201.2
[M+CH3COO]- 381.18197 214.6
[M+Na-2H]- 343.14279 180.3
[M]+ 322.16757 182.9
[M]- 322.16867 182.9
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.