CID 472332

Db213 (tetrahydrochloride)

Structural Information

Molecular Formula
C18H32N6
SMILES
CN(C)CCCN=C(C1=CC=C(C=C1)C(=NCCCN(C)C)N)N
InChI
InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)
InChIKey
QAWYYAYHHZQCLB-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[3-(dimethylamino)propyl]benzene-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

332.26886 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27614 187.8
[M+Na]+ 355.25808 188.5
[M-H]- 331.26158 194.6
[M+NH4]+ 350.30268 201.6
[M+K]+ 371.23202 188.7
[M+H-H2O]+ 315.26612 177.3
[M+HCOO]- 377.26706 216.3
[M+CH3COO]- 391.28271 239.1
[M+Na-2H]- 353.24353 187.2
[M]+ 332.26831 188.2
[M]- 332.26941 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe