CID 9574311

[1-aza-2-(3-bromophenyl)vinyl](imino-4-pyridylmethyl)amine

Structural Information

Molecular Formula
C13H11BrN4
SMILES
C1=CC(=CC(=C1)Br)/C=N/N=C(/C2=CC=NC=C2)\N
InChI
InChI=1S/C13H11BrN4/c14-12-3-1-2-10(8-12)9-17-18-13(15)11-4-6-16-7-5-11/h1-9H,(H2,15,18)/b17-9+
InChIKey
NSFAKQPYGXECQZ-RQZCQDPDSA-N
Compound name
N'-[(E)-(3-bromophenyl)methylideneamino]pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.01672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02400 157.5
[M+Na]+ 325.00594 166.8
[M-H]- 301.00944 167.0
[M+NH4]+ 320.05054 174.6
[M+K]+ 340.97988 154.5
[M+H-H2O]+ 285.01398 153.7
[M+HCOO]- 347.01492 182.8
[M+CH3COO]- 361.03057 208.5
[M+Na-2H]- 322.99139 166.2
[M]+ 302.01617 174.1
[M]- 302.01727 174.1
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.