CID 571686

60259-80-5

Structural Information

Molecular Formula
C14H14N4O2
SMILES
CC1=CC=C(C=C1)NN=NCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O2/c1-11-2-6-13(7-3-11)16-17-15-10-12-4-8-14(9-5-12)18(19)20/h2-9H,10H2,1H3,(H,15,16)
InChIKey
ZATZIBWEALYTHN-UHFFFAOYSA-N
Compound name
4-methyl-N-[(4-nitrophenyl)methyldiazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

270.11166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 160.3
[M+Na]+ 293.10088 173.7
[M+NH4]+ 288.14548 168.5
[M+K]+ 309.07482 168.3
[M-H]- 269.10438 168.4
[M+Na-2H]- 291.08633 170.3
[M]+ 270.11111 164.3
[M]- 270.11221 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe