CID 6410651

Cm 30486

Structural Information

Molecular Formula
C14H18N4
SMILES
CC1=CC(=NN=C1NCCCN)C2=CC=CC=C2
InChI
InChI=1S/C14H18N4/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18)
InChIKey
VIUDAFUCYIXLKN-UHFFFAOYSA-N
Compound name
N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

242.15315 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 156.8
[M+Na]+ 265.14237 163.7
[M-H]- 241.14587 160.3
[M+NH4]+ 260.18697 170.8
[M+K]+ 281.11631 158.7
[M+H-H2O]+ 225.15041 147.3
[M+HCOO]- 287.15135 180.0
[M+CH3COO]- 301.16700 198.8
[M+Na-2H]- 263.12782 163.5
[M]+ 242.15260 155.3
[M]- 242.15370 155.3
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