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]+ 279.206706 167.9
[M+Na]+ 301.188648 173.2
[M-H]- 277.192154 172.2
[M+NH4]+ 296.233253 184.1
[M+K]+ 317.162588 170.0
[M+H-H2O]+ 261.196690 159.6
[M+HCOO]- 323.197631 189.0
[M+CH3COO]- 337.213281 203.0
[M+Na-2H]- 299.174096 167.8
[M]+ 278.19888142 168.4
[M]- 278.19997858 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.