CID 151452

18905-73-2

Structural Information

Molecular Formula
C16H21N5O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C16H21N5O/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20)/t14-/m0/s1
InChIKey
DICSXQHGGOAUNU-AWEZNQCLSA-N
Compound name
(2S)-2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

157
Patents

299.17462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18190 171.5
[M+Na]+ 322.16384 178.0
[M+NH4]+ 317.20844 177.5
[M+K]+ 338.13778 173.2
[M-H]- 298.16734 175.2
[M+Na-2H]- 320.14929 175.4
[M]+ 299.17407 172.8
[M]- 299.17517 172.8
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