CID 3085508

Benzenamine, 2,5-dipropoxy-4-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCCOC1=CC(=C(C=C1N)OCCC)N2CCCC2
InChI
InChI=1S/C16H26N2O2/c1-3-9-19-15-12-14(18-7-5-6-8-18)16(11-13(15)17)20-10-4-2/h11-12H,3-10,17H2,1-2H3
InChIKey
GVIVGDWHPMPUGY-UHFFFAOYSA-N
Compound name
2,5-dipropoxy-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 167.9
[M+Na]+ 301.18865 173.2
[M-H]- 277.19215 172.2
[M+NH4]+ 296.23325 184.1
[M+K]+ 317.16259 170.0
[M+H-H2O]+ 261.19669 159.6
[M+HCOO]- 323.19763 189.0
[M+CH3COO]- 337.21328 203.0
[M+Na-2H]- 299.17410 167.8
[M]+ 278.19888 168.4
[M]- 278.19998 168.4
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.