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

0
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 189.5
[M+Na]+ 409.19585 190.6
[M-H]- 385.19935 192.9
[M+NH4]+ 404.24045 199.6
[M+K]+ 425.16979 189.3
[M+H-H2O]+ 369.20389 179.9
[M+HCOO]- 431.20483 213.3
[M+CH3COO]- 445.22048 239.2
[M+Na-2H]- 407.18130 190.0
[M]+ 386.20608 186.5
[M]- 386.20718 186.5
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.