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 196.7
[M+Na]+ 421.22100 198.3
[M-H]- 397.22450 200.8
[M+NH4]+ 416.26560 207.2
[M+K]+ 437.19494 194.5
[M+H-H2O]+ 381.22904 187.3
[M+HCOO]- 443.22998 214.5
[M+CH3COO]- 457.24563 230.7
[M+Na-2H]- 419.20645 193.7
[M]+ 398.23123 193.8
[M]- 398.23233 193.8
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