CID 9905964

Sr-46559a

Structural Information

Molecular Formula
C21H32N4
SMILES
CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(C)(C)N(CC)CC
InChI
InChI=1S/C21H32N4/c1-6-12-18-15-19(22-16-21(4,5)25(7-2)8-3)23-24-20(18)17-13-10-9-11-14-17/h9-11,13-15H,6-8,12,16H2,1-5H3,(H,22,23)
InChIKey
UPNNBTDQWUFTGV-UHFFFAOYSA-N
Compound name
2-N,2-N-diethyl-2-methyl-1-N-(6-phenyl-5-propylpyridazin-3-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

340.2627 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26998 188.8
[M+Na]+ 363.25192 193.0
[M-H]- 339.25542 193.3
[M+NH4]+ 358.29652 199.7
[M+K]+ 379.22586 188.8
[M+H-H2O]+ 323.25996 178.2
[M+HCOO]- 385.26090 209.0
[M+CH3COO]- 399.27655 224.1
[M+Na-2H]- 361.23737 192.7
[M]+ 340.26215 191.4
[M]- 340.26325 191.4
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

patents stripe