CID 18890

3414-73-1

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O4/c1-2-30-22(27)23(18-6-4-3-5-7-18)10-12-25(13-11-23)16-17-15-24-21-9-8-19(26(28)29)14-20(17)21/h3-9,14-15,24H,2,10-13,16H2,1H3
InChIKey
SQGNENLHPLGZMV-UHFFFAOYSA-N
Compound name
ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 197.3
[M+Na]+ 430.17372 200.7
[M-H]- 406.17722 203.3
[M+NH4]+ 425.21832 207.2
[M+K]+ 446.14766 191.1
[M+H-H2O]+ 390.18176 190.9
[M+HCOO]- 452.18270 213.6
[M+CH3COO]- 466.19835 213.8
[M+Na-2H]- 428.15917 200.8
[M]+ 407.18395 193.8
[M]- 407.18505 193.8
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

No patent data available for this compound.