CID 393500

Nsc695563

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC(CN(C)C)OC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O2/c1-16(14-22(2)3)25-21(24)20-13-18-11-7-8-12-19(18)23(20)15-17-9-5-4-6-10-17/h4-13,16H,14-15H2,1-3H3
InChIKey
KUOGMXLMHOVAHX-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-yl 1-benzylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.9
[M+Na]+ 359.17300 189.2
[M-H]- 335.17650 190.5
[M+NH4]+ 354.21760 198.1
[M+K]+ 375.14694 185.8
[M+H-H2O]+ 319.18104 173.6
[M+HCOO]- 381.18198 205.6
[M+CH3COO]- 395.19763 217.5
[M+Na-2H]- 357.15845 184.5
[M]+ 336.18323 187.9
[M]- 336.18433 187.9
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.