CID 3087582

P-heptamethyleniminomethylbenzylguanidine sulfate

Structural Information

Molecular Formula
C16H26N4
SMILES
C1CCCN(CCC1)CC2=CC=C(C=C2)CN=C(N)N
InChI
InChI=1S/C16H26N4/c17-16(18)19-12-14-6-8-15(9-7-14)13-20-10-4-2-1-3-5-11-20/h6-9H,1-5,10-13H2,(H4,17,18,19)
InChIKey
HOSPJXBQJZWBGU-UHFFFAOYSA-N
Compound name
2-[[4-(azocan-1-ylmethyl)phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21576 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22304 154.2
[M+Na]+ 297.20498 156.9
[M+NH4]+ 292.24958 156.6
[M+K]+ 313.17892 156.0
[M-H]- 273.20848 155.7
[M+Na-2H]- 295.19043 157.3
[M]+ 274.21521 154.8
[M]- 274.21631 154.8
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.