CID 3989311

Dtxsid00585160

Structural Information

Molecular Formula
C19H26N6O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)CN
InChI
InChI=1S/C19H26N6O3/c1-28-16-10-13(9-12-5-2-3-6-14(12)16)24-18(27)15(25-17(26)11-20)7-4-8-23-19(21)22/h2-3,5-6,9-10,15H,4,7-8,11,20H2,1H3,(H,24,27)(H,25,26)(H4,21,22,23)
InChIKey
CMXOJPNFUOTQBY-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-(4-methoxynaphthalen-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

386.20663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21391 192.4
[M+Na]+ 409.19585 196.0
[M+NH4]+ 404.24045 195.7
[M+K]+ 425.16979 193.0
[M-H]- 385.19935 194.8
[M+Na-2H]- 407.18130 193.7
[M]+ 386.20608 192.6
[M]- 386.20718 192.6
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

No patent data available for this compound.