CID 9561444

28058-21-1

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1=CC=C(C=C1)CC/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O2/c19-18(20)13-8-9-14(15-11-13)17-16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-11H,4,7H2,(H,15,17)/b16-10+
InChIKey
WERYAWYVSRTUEF-MHWRWJLKSA-N
Compound name
5-nitro-N-[(E)-3-phenylpropylideneamino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 158.5
[M+Na]+ 293.10088 163.3
[M-H]- 269.10438 164.8
[M+NH4]+ 288.14548 172.1
[M+K]+ 309.07482 155.7
[M+H-H2O]+ 253.10892 153.4
[M+HCOO]- 315.10986 186.3
[M+CH3COO]- 329.12551 198.0
[M+Na-2H]- 291.08633 168.5
[M]+ 270.11111 156.8
[M]- 270.11221 156.8
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.