CID 105731

67828-47-1

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCCOC1=CC(=C(C=C1N)OCCCC)N2CCCC2
InChI
InChI=1S/C18H30N2O2/c1-3-5-11-21-17-14-16(20-9-7-8-10-20)18(13-15(17)19)22-12-6-4-2/h13-14H,3-12,19H2,1-2H3
InChIKey
LWCNNIJUQDICTR-UHFFFAOYSA-N
Compound name
2,5-dibutoxy-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 176.9
[M+Na]+ 329.219958 181.3
[M-H]- 305.223464 180.8
[M+NH4]+ 324.264563 191.9
[M+K]+ 345.193898 177.6
[M+H-H2O]+ 289.228000 168.2
[M+HCOO]- 351.228941 197.3
[M+CH3COO]- 365.244591 209.0
[M+Na-2H]- 327.205406 175.6
[M]+ 306.23019142 178.1
[M]- 306.23128858 178.1
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.