CID 56841420

Chloro-12h-phthaloperin-12-one

Structural Information

Molecular Formula
C18H9ClN2O
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC5=C4C(=C(C=C5)Cl)N3C2=O
InChI
InChI=1S/C18H9ClN2O/c19-13-9-8-10-4-3-7-14-15(10)16(13)21-17(20-14)11-5-1-2-6-12(11)18(21)22/h1-9H
InChIKey
WCRBWWJATXDEHF-UHFFFAOYSA-N
Compound name
19-chloro-2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.04034 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.047616 168.1
[M+Na]+ 327.029558 181.0
[M-H]- 303.033064 172.4
[M+NH4]+ 322.074163 187.4
[M+K]+ 343.003498 172.7
[M+H-H2O]+ 287.037600 159.4
[M+HCOO]- 349.038541 180.8
[M+CH3COO]- 363.054191 179.9
[M+Na-2H]- 325.015006 175.0
[M]+ 304.03979142 172.7
[M]- 304.04088858 172.7
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.