CID 20981

Benzamide, p-(3-amidinoguanidino)-n,n-dibutyl-, monohydrochloride

Structural Information

Molecular Formula
C17H28N6O
SMILES
CCCCN(CCCC)C(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C17H28N6O/c1-3-5-11-23(12-6-4-2)15(24)13-7-9-14(10-8-13)21-17(20)22-16(18)19/h7-10H,3-6,11-12H2,1-2H3,(H6,18,19,20,21,22)
InChIKey
KMZRFTAZIWDQIL-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-dibutylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.23245 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23973 185.0
[M+Na]+ 355.22167 188.9
[M+NH4]+ 350.26627 189.3
[M+K]+ 371.19561 184.8
[M-H]- 331.22517 188.3
[M+Na-2H]- 353.20712 187.4
[M]+ 332.23190 185.6
[M]- 332.23300 185.6
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.