CID 334521

118357-26-9

Structural Information

Molecular Formula
C20H28N4O3
SMILES
CC(C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)C(CCCCN)N
InChI
InChI=1S/C20H28N4O3/c1-13(23-20(26)17(22)9-5-6-10-21)19(25)24-15-11-14-7-3-4-8-16(14)18(12-15)27-2/h3-4,7-8,11-13,17H,5-6,9-10,21-22H2,1-2H3,(H,23,26)(H,24,25)
InChIKey
NVFAVOGMBNAYET-UHFFFAOYSA-N
Compound name
2,6-diamino-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.21616 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22344 190.9
[M+Na]+ 395.20538 192.4
[M-H]- 371.20888 193.2
[M+NH4]+ 390.24998 201.8
[M+K]+ 411.17932 190.1
[M+H-H2O]+ 355.21342 182.1
[M+HCOO]- 417.21436 211.2
[M+CH3COO]- 431.23001 230.8
[M+Na-2H]- 393.19083 190.1
[M]+ 372.21561 189.5
[M]- 372.21671 189.5
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.