CID 151208

Einecs 242-655-7

Structural Information

Molecular Formula
C16H21N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C16H21N3O/c17-10-4-3-7-15(18)16(20)19-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15H,3-4,7,10,17-18H2,(H,19,20)/t15-/m0/s1
InChIKey
QXMBQGUYVQPOCP-HNNXBMFYSA-N
Compound name
(2S)-2,6-diamino-N-naphthalen-2-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

271.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 163.8
[M+Na]+ 294.15768 167.7
[M-H]- 270.16118 166.5
[M+NH4]+ 289.20228 179.5
[M+K]+ 310.13162 163.8
[M+H-H2O]+ 254.16572 156.1
[M+HCOO]- 316.16666 186.1
[M+CH3COO]- 330.18231 207.2
[M+Na-2H]- 292.14313 167.6
[M]+ 271.16791 160.6
[M]- 271.16901 160.6
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

patents stripe