CID 3086762

111910-28-2

Structural Information

Molecular Formula
C14H12ClN3O3
SMILES
C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2)O)Cl)N=C(N)N
InChI
InChI=1S/C14H12ClN3O3/c15-9-5-11(19)7-12(6-9)21-13(20)8-1-3-10(4-2-8)18-14(16)17/h1-7,19H,(H4,16,17,18)
InChIKey
GIVFHJNVTJBUOC-UHFFFAOYSA-N
Compound name
(3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

305.05673 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06401 167.7
[M+Na]+ 328.04595 175.2
[M-H]- 304.04945 174.0
[M+NH4]+ 323.09055 182.0
[M+K]+ 344.01989 170.7
[M+H-H2O]+ 288.05399 160.6
[M+HCOO]- 350.05493 188.5
[M+CH3COO]- 364.07058 208.6
[M+Na-2H]- 326.03140 169.8
[M]+ 305.05618 167.8
[M]- 305.05728 167.8
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