CID 272345

1-(4-nitroso-5-phenyl-1h-pyrrol-2-yl)isoquinoline

Structural Information

Molecular Formula
C19H13N3O
SMILES
C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC=CC4=CC=CC=C43)N=O
InChI
InChI=1S/C19H13N3O/c23-22-17-12-16(21-18(17)14-7-2-1-3-8-14)19-15-9-5-4-6-13(15)10-11-20-19/h1-12,21H
InChIKey
BDXUZIQIBQWJJH-UHFFFAOYSA-N
Compound name
1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11315 167.8
[M+Na]+ 322.09509 177.9
[M-H]- 298.09859 176.7
[M+NH4]+ 317.13969 182.3
[M+K]+ 338.06903 170.9
[M+H-H2O]+ 282.10313 157.5
[M+HCOO]- 344.10407 192.3
[M+CH3COO]- 358.11972 180.0
[M+Na-2H]- 320.08054 175.1
[M]+ 299.10532 169.0
[M]- 299.10642 169.0
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

No patent data available for this compound.