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]+ 399.239056 196.7
[M+Na]+ 421.220998 198.3
[M-H]- 397.224504 200.8
[M+NH4]+ 416.265603 207.2
[M+K]+ 437.194938 194.5
[M+H-H2O]+ 381.229040 187.3
[M+HCOO]- 443.229981 214.5
[M+CH3COO]- 457.245631 230.7
[M+Na-2H]- 419.206446 193.7
[M]+ 398.23123142 193.8
[M]- 398.23232858 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