CID 4267516

Nsc689873

Structural Information

Molecular Formula
C20H15ClN4O3
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN4O3/c1-28-15-7-9-18-17(11-15)20(24-23-13-4-2-12(21)3-5-13)16-8-6-14(25(26)27)10-19(16)22-18/h2-11,23H,1H3,(H,22,24)
InChIKey
PFOKMOALFBOTCS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(2-methoxy-6-nitroacridin-9-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.08328 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09056 186.9
[M+Na]+ 417.07250 194.7
[M-H]- 393.07600 194.0
[M+NH4]+ 412.11710 197.7
[M+K]+ 433.04644 184.3
[M+H-H2O]+ 377.08054 181.4
[M+HCOO]- 439.08148 206.6
[M+CH3COO]- 453.09713 220.8
[M+Na-2H]- 415.05795 197.5
[M]+ 394.08273 190.4
[M]- 394.08383 190.4
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.