CID 3046042

N(sup 2)-dansyl-n-butyl-l-argininamide

Structural Information

Molecular Formula
C22H34N6O3S
SMILES
CCCCNC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C
InChI
InChI=1S/C22H34N6O3S/c1-4-5-14-25-21(29)18(11-8-15-26-22(23)24)27-32(30,31)20-13-7-9-16-17(20)10-6-12-19(16)28(2)3/h6-7,9-10,12-13,18,27H,4-5,8,11,14-15H2,1-3H3,(H,25,29)(H4,23,24,26)
InChIKey
DJIACZZJKLGUFN-UHFFFAOYSA-N
Compound name
N-butyl-5-(diaminomethylideneamino)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.2413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.24858 208.0
[M+Na]+ 485.23052 210.7
[M+NH4]+ 480.27512 211.0
[M+K]+ 501.20446 206.0
[M-H]- 461.23402 210.0
[M+Na-2H]- 483.21597 209.9
[M]+ 462.24075 208.6
[M]- 462.24185 208.6
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.