CID 6050084

Nsc155594

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C(C=C1)/C=C/C=NC2=C(C=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C15H13N3O2/c16-14-9-8-13(18(19)20)11-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-11H,16H2/b7-4+,17-10?
InChIKey
FHGCGGSPHMBGPN-ZFENKPHASA-N
Compound name
4-nitro-2-[[(E)-3-phenylprop-2-enylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.7
[M+Na]+ 290.08999 165.5
[M-H]- 266.09349 167.1
[M+NH4]+ 285.13459 174.8
[M+K]+ 306.06393 156.9
[M+H-H2O]+ 250.09803 155.7
[M+HCOO]- 312.09897 188.0
[M+CH3COO]- 326.11462 197.1
[M+Na-2H]- 288.07544 166.9
[M]+ 267.10022 156.6
[M]- 267.10132 156.6
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.