CID 6078917

Nsc652561

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)/C(=N\N)/C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O2/c1-8-6-14(20(21)22)9(2)15-12-7-11(10(3)19-17)4-5-13(12)18-16(8)15/h4-7,18H,17H2,1-3H3/b19-10-
InChIKey
KRBRNDLWTOCOTD-GRSHGNNSSA-N
Compound name
(Z)-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 165.4
[M+Na]+ 319.11654 174.1
[M-H]- 295.12004 170.3
[M+NH4]+ 314.16114 182.2
[M+K]+ 335.09048 165.1
[M+H-H2O]+ 279.12458 162.8
[M+HCOO]- 341.12552 189.6
[M+CH3COO]- 355.14117 205.3
[M+Na-2H]- 317.10199 171.7
[M]+ 296.12677 164.9
[M]- 296.12787 164.9
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.