CID 3076685

132116-68-8

Structural Information

Molecular Formula
C16H24ClN5O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1O)NC2NCC=N2)Cl
InChI
InChI=1S/C16H24ClN5O2/c1-3-22(4-2)8-7-18-15(24)11-9-12(17)13(10-14(11)23)21-16-19-5-6-20-16/h5,9-10,16,20-21,23H,3-4,6-8H2,1-2H3,(H,18,24)
InChIKey
WZEVSRLWZPKMGC-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-4-(2,5-dihydro-1H-imidazol-2-ylamino)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.16187 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16915 183.7
[M+Na]+ 376.15109 188.2
[M-H]- 352.15459 186.3
[M+NH4]+ 371.19569 195.0
[M+K]+ 392.12503 183.2
[M+H-H2O]+ 336.15913 174.8
[M+HCOO]- 398.16007 199.8
[M+CH3COO]- 412.17572 218.0
[M+Na-2H]- 374.13654 183.6
[M]+ 353.16132 184.0
[M]- 353.16242 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

patents stripe