CID 4015530

76122-98-0

Structural Information

Molecular Formula
C22H30N4O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)C3CCCN3C(=O)C(CCCCN)N
InChI
InChI=1S/C22H30N4O3/c1-29-20-14-16(13-15-7-2-3-8-17(15)20)25-21(27)19-10-6-12-26(19)22(28)18(24)9-4-5-11-23/h2-3,7-8,13-14,18-19H,4-6,9-12,23-24H2,1H3,(H,25,27)
InChIKey
IGXPCCSAEJUZSY-UHFFFAOYSA-N
Compound name
1-(2,6-diaminohexanoyl)-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.23178 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23906 197.9
[M+Na]+ 421.22100 204.1
[M+NH4]+ 416.26560 202.5
[M+K]+ 437.19494 201.3
[M-H]- 397.22450 200.5
[M+Na-2H]- 419.20645 199.8
[M]+ 398.23123 198.8
[M]- 398.23233 198.8
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