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 184.9
[M+Na]+ 355.22167 186.0
[M-H]- 331.22517 190.1
[M+NH4]+ 350.26627 197.7
[M+K]+ 371.19561 185.3
[M+H-H2O]+ 315.22971 174.8
[M+HCOO]- 377.23065 212.1
[M+CH3COO]- 391.24630 233.4
[M+Na-2H]- 353.20712 183.4
[M]+ 332.23190 182.5
[M]- 332.23300 182.5
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.