CID 3070814

86873-12-3

Structural Information

Molecular Formula
C14H16Cl2N4O2
SMILES
CCN(CC)CC(=O)N=NC1=C(NC2=C1C=C(C=C2Cl)Cl)O
InChI
InChI=1S/C14H16Cl2N4O2/c1-3-20(4-2)7-11(21)18-19-13-9-5-8(15)6-10(16)12(9)17-14(13)22/h5-6,17,22H,3-4,7H2,1-2H3
InChIKey
HNDGWEZQDNFBGR-UHFFFAOYSA-N
Compound name
N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.06503 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07231 178.5
[M+Na]+ 365.05425 188.4
[M-H]- 341.05775 183.2
[M+NH4]+ 360.09885 195.3
[M+K]+ 381.02819 183.2
[M+H-H2O]+ 325.06229 172.2
[M+HCOO]- 387.06323 195.7
[M+CH3COO]- 401.07888 218.9
[M+Na-2H]- 363.03970 180.8
[M]+ 342.06448 186.2
[M]- 342.06558 186.2
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.