CID 16219000

100900-33-2

Structural Information

Molecular Formula
C24H27N5O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H27N5O3/c1-32-21-15-18(14-17-10-5-6-11-19(17)21)28-23(31)20(12-7-13-27-24(25)26)29-22(30)16-8-3-2-4-9-16/h2-6,8-11,14-15,20H,7,12-13H2,1H3,(H,28,31)(H,29,30)(H4,25,26,27)/t20-/m0/s1
InChIKey
YXDSWEZHWDTWLL-FQEVSTJZSA-N
Compound name
N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

433.2114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21868 205.9
[M+Na]+ 456.20062 213.0
[M+NH4]+ 451.24522 210.3
[M+K]+ 472.17456 207.6
[M-H]- 432.20412 211.0
[M+Na-2H]- 454.18607 210.8
[M]+ 433.21085 207.7
[M]- 433.21195 207.7
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