CID 5138113

Dtxsid10585252

Structural Information

Molecular Formula
C25H30N6O2
SMILES
C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N
InChI
InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)
InChIKey
ZNHUFUZDUQRKBB-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

446.243 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25028 209.8
[M+Na]+ 469.23222 214.9
[M+NH4]+ 464.27682 213.8
[M+K]+ 485.20616 210.1
[M-H]- 445.23572 215.1
[M+Na-2H]- 467.21767 214.1
[M]+ 446.24245 211.2
[M]- 446.24355 211.2
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