CID 9555796

Nsc629871

Structural Information

Molecular Formula
C17H14N4O2
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])/N=C/C2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H14N4O2/c1-20(15-7-9-16(10-8-15)21(22)23)19-12-14-5-2-4-13-6-3-11-18-17(13)14/h2-12H,1H3/b19-12+
InChIKey
FZIRYANKUWCWTD-XDHOZWIPSA-N
Compound name
N-methyl-4-nitro-N-[(E)-quinolin-8-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 167.4
[M+Na]+ 329.10088 172.9
[M-H]- 305.10438 176.0
[M+NH4]+ 324.14548 181.0
[M+K]+ 345.07482 165.4
[M+H-H2O]+ 289.10892 161.5
[M+HCOO]- 351.10986 194.1
[M+CH3COO]- 365.12551 209.3
[M+Na-2H]- 327.08633 177.6
[M]+ 306.11111 167.0
[M]- 306.11221 167.0
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.