CID 9568697

Nsc 42364

Structural Information

Molecular Formula
C14H15N5O2
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N5O2/c1-18(2)12-5-3-11(4-6-12)9-16-17-14-8-7-13(10-15-14)19(20)21/h3-10H,1-2H3,(H,15,17)/b16-9+
InChIKey
VMENWCGFKHUBAV-CXUHLZMHSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1226 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 162.0
[M+Na]+ 308.11182 166.9
[M-H]- 284.11532 170.0
[M+NH4]+ 303.15642 175.5
[M+K]+ 324.08576 160.7
[M+H-H2O]+ 268.11986 156.4
[M+HCOO]- 330.12080 191.1
[M+CH3COO]- 344.13645 207.4
[M+Na-2H]- 306.09727 171.1
[M]+ 285.12205 161.1
[M]- 285.12315 161.1
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.