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
1
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]+ 307.23802 176.9
[M+Na]+ 329.21996 181.3
[M-H]- 305.22346 180.8
[M+NH4]+ 324.26456 191.9
[M+K]+ 345.19390 177.6
[M+H-H2O]+ 289.22800 168.2
[M+HCOO]- 351.22894 197.3
[M+CH3COO]- 365.24459 209.0
[M+Na-2H]- 327.20541 175.6
[M]+ 306.23019 178.1
[M]- 306.23129 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.