CID 9931205

Cppha

Structural Information

Molecular Formula
C22H15ClN2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=CC(=C3)Cl)NC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)
InChIKey
UFOUABRZSDGGAZ-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

96
Patents

406.07202 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07930 194.2
[M+Na]+ 429.06124 203.6
[M-H]- 405.06474 203.1
[M+NH4]+ 424.10584 206.2
[M+K]+ 445.03518 196.3
[M+H-H2O]+ 389.06928 185.6
[M+HCOO]- 451.07022 210.0
[M+CH3COO]- 465.08587 204.3
[M+Na-2H]- 427.04669 194.2
[M]+ 406.07147 197.3
[M]- 406.07257 197.3
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