CID 3526

Murbenine

Structural Information

Molecular Formula
C18H41N7
SMILES
C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N
InChI
InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
InChIKey
RONFGUROBZGJKP-UHFFFAOYSA-N
Compound name
2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

26
References

34630
Patents

355.34235 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.34963 187.5
[M+Na]+ 378.33157 185.0
[M-H]- 354.33507 186.3
[M+NH4]+ 373.37617 198.2
[M+K]+ 394.30551 183.0
[M+H-H2O]+ 338.33961 177.0
[M+HCOO]- 400.34055 213.1
[M+CH3COO]- 414.35620 240.3
[M+Na-2H]- 376.31702 185.2
[M]+ 355.34180 184.5
[M]- 355.34290 184.5
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.