CID 165480162

N-(3-{2-[2-(3-carbamimidamidopropoxy)ethoxy]ethoxy}propyl)guanidine

Structural Information

Molecular Formula
C12H28N6O3
SMILES
C(CN=C(N)N)COCCOCCOCCCN=C(N)N
InChI
InChI=1S/C12H28N6O3/c13-11(14)17-3-1-5-19-7-9-21-10-8-20-6-2-4-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)
InChIKey
DPTJXHOHGVOJHM-UHFFFAOYSA-N
Compound name
2-[3-[2-[2-[3-(diaminomethylideneamino)propoxy]ethoxy]ethoxy]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2223 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22958 167.5
[M+Na]+ 327.21152 167.9
[M-H]- 303.21502 167.3
[M+NH4]+ 322.25612 180.4
[M+K]+ 343.18546 168.5
[M+H-H2O]+ 287.21956 157.8
[M+HCOO]- 349.22050 194.8
[M+CH3COO]- 363.23615 223.7
[M+Na-2H]- 325.19697 168.0
[M]+ 304.22175 167.2
[M]- 304.22285 167.2
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

No patent data available for this compound.