CID 30949

Butalamine

Structural Information

Molecular Formula
C18H28N4O
SMILES
CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)
InChIKey
VYWQZAARVNRSTR-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

905
Patents

316.22632 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23360 179.6
[M+Na]+ 339.21554 183.6
[M-H]- 315.21904 184.6
[M+NH4]+ 334.26014 191.6
[M+K]+ 355.18948 181.3
[M+H-H2O]+ 299.22358 168.9
[M+HCOO]- 361.22452 202.6
[M+CH3COO]- 375.24017 215.5
[M+Na-2H]- 337.20099 183.1
[M]+ 316.22577 184.0
[M]- 316.22687 184.0
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.