CID 5747234

86387-53-3

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CCN(CC)CCS/C(=N\O)/C1=CC=C(C=C1)C
InChI
InChI=1S/C14H22N2OS/c1-4-16(5-2)10-11-18-14(15-17)13-8-6-12(3)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3/b15-14-
InChIKey
QYQLXBZQXGUITO-PFONDFGASA-N
Compound name
2-(diethylamino)ethyl (1Z)-N-hydroxy-4-methylbenzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

266.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.152576 163.8
[M+Na]+ 289.134518 168.5
[M-H]- 265.138024 168.2
[M+NH4]+ 284.179123 181.1
[M+K]+ 305.108458 165.9
[M+H-H2O]+ 249.142560 156.1
[M+HCOO]- 311.143501 183.1
[M+CH3COO]- 325.159151 205.1
[M+Na-2H]- 287.119966 164.4
[M]+ 266.14475142 167.6
[M]- 266.14584858 167.6
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