CID 688379

(2s)-2-amino-n1-2-naphthalenylbutanediamide

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C14H15N3O2/c15-12(8-13(16)18)14(19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,15H2,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKey
LMENXDIQSZMBBL-LBPRGKRZSA-N
Compound name
(2S)-2-amino-N-naphthalen-2-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 157.4
[M+Na]+ 280.10564 162.1
[M-H]- 256.10914 160.6
[M+NH4]+ 275.15024 173.4
[M+K]+ 296.07958 159.2
[M+H-H2O]+ 240.11368 150.1
[M+HCOO]- 302.11462 179.8
[M+CH3COO]- 316.13027 203.5
[M+Na-2H]- 278.09109 161.0
[M]+ 257.11587 153.6
[M]- 257.11697 153.6
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