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

8
Patents

386.20663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.213906 189.5
[M+Na]+ 409.195848 190.6
[M-H]- 385.199354 192.9
[M+NH4]+ 404.240453 199.6
[M+K]+ 425.169788 189.3
[M+H-H2O]+ 369.203890 179.9
[M+HCOO]- 431.204831 213.3
[M+CH3COO]- 445.220481 239.2
[M+Na-2H]- 407.181296 190.0
[M]+ 386.20608142 186.5
[M]- 386.20717858 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

patents stripe