CID 16218937

H-arg-4mbetana

Structural Information

Molecular Formula
C17H23N5O2
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C17H23N5O2/c1-24-15-10-12(9-11-5-2-3-6-13(11)15)22-16(23)14(18)7-4-8-21-17(19)20/h2-3,5-6,9-10,14H,4,7-8,18H2,1H3,(H,22,23)(H4,19,20,21)/t14-/m0/s1
InChIKey
XVHWVDFGKDNOBO-AWEZNQCLSA-N
Compound name
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methoxynaphthalen-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

329.18518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 176.7
[M+Na]+ 352.17440 179.6
[M-H]- 328.17790 180.4
[M+NH4]+ 347.21900 189.7
[M+K]+ 368.14834 177.4
[M+H-H2O]+ 312.18244 167.8
[M+HCOO]- 374.18338 200.8
[M+CH3COO]- 388.19903 225.8
[M+Na-2H]- 350.15985 178.5
[M]+ 329.18463 173.7
[M]- 329.18573 173.7
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

patents stripe