CID 3912574

20314-31-2

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCCN)N
InChI
InChI=1S/C19H26N4O2/c1-13(22-19(25)17(21)8-4-5-11-20)18(24)23-16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17H,4-5,8,11,20-21H2,1H3,(H,22,25)(H,23,24)
InChIKey
MNETYPHAKOATDA-UHFFFAOYSA-N
Compound name
2,6-diamino-N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.20557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21285 183.2
[M+Na]+ 365.19479 184.4
[M-H]- 341.19829 185.4
[M+NH4]+ 360.23939 195.2
[M+K]+ 381.16873 181.5
[M+H-H2O]+ 325.20283 174.6
[M+HCOO]- 387.20377 203.8
[M+CH3COO]- 401.21942 224.2
[M+Na-2H]- 363.18024 183.5
[M]+ 342.20502 179.7
[M]- 342.20612 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.