CID 137371

87963-80-2

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C18H16N4O2/c1-21(2)15-7-3-13(4-8-15)19-20-14-5-9-16(10-6-14)22-17(23)11-12-18(22)24/h3-12H,1-2H3
InChIKey
RGNHAWFQWRAADF-UHFFFAOYSA-N
Compound name
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

510
Patents

320.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 173.5
[M+Na]+ 343.11654 181.1
[M-H]- 319.12004 186.7
[M+NH4]+ 338.16114 189.0
[M+K]+ 359.09048 178.3
[M+H-H2O]+ 303.12458 162.9
[M+HCOO]- 365.12552 203.4
[M+CH3COO]- 379.14117 221.7
[M+Na-2H]- 341.10199 177.1
[M]+ 320.12677 176.3
[M]- 320.12787 176.3
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