CID 9570520

33860-81-0

Structural Information

Molecular Formula
C17H15N2O
SMILES
C1=CC=C(C=C1)/C(=N\O)/C[N+]2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14N2O/c20-18-17(15-7-2-1-3-8-15)13-19-11-10-14-6-4-5-9-16(14)12-19/h1-12H,13H2/p+1/b18-17-
InChIKey
QPMLMQADGJAFQI-ZCXUNETKSA-O
Compound name
(NE)-N-(2-isoquinolin-2-ium-2-yl-1-phenylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11844 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12572 161.8
[M+Na]+ 286.10766 168.2
[M-H]- 262.11116 167.9
[M+NH4]+ 281.15226 176.8
[M+K]+ 302.08160 157.5
[M+H-H2O]+ 246.11570 155.3
[M+HCOO]- 308.11664 183.6
[M+CH3COO]- 322.13229 192.0
[M+Na-2H]- 284.09311 172.1
[M]+ 263.11789 159.6
[M]- 263.11899 159.6
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.