CID 40984

Camiverine

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)CCOC(=O)C(C1=CC=CC=C1)NCCN2CCCC2
InChI
InChI=1S/C19H30N2O2/c1-16(2)10-15-23-19(22)18(17-8-4-3-5-9-17)20-11-14-21-12-6-7-13-21/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3
InChIKey
HKVGEMSALZULPM-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-phenyl-2-(2-pyrrolidin-1-ylethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 181.4
[M+Na]+ 341.21996 188.9
[M+NH4]+ 336.26456 187.6
[M+K]+ 357.19390 184.8
[M-H]- 317.22346 183.4
[M+Na-2H]- 339.20541 185.2
[M]+ 318.23019 182.6
[M]- 318.23129 182.6
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

patents stripe