CID 207972

31301-62-9

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCN(CC)CCC(=O)NC1=C2C=CC=CC=C2C=C1
InChI
InChI=1S/C17H22N2O/c1-3-19(4-2)13-12-17(20)18-16-11-10-14-8-6-5-7-9-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKey
OBRICEALOGMYSD-UHFFFAOYSA-N
Compound name
N-azulen-1-yl-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.9
[M+Na]+ 293.16244 169.2
[M-H]- 269.16594 171.8
[M+NH4]+ 288.20704 183.1
[M+K]+ 309.13638 170.7
[M+H-H2O]+ 253.17048 158.6
[M+HCOO]- 315.17142 189.9
[M+CH3COO]- 329.18707 208.3
[M+Na-2H]- 291.14789 168.3
[M]+ 270.17267 165.6
[M]- 270.17377 165.6
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.