CID 135431144

Dtxsid20873172

Structural Information

Molecular Formula
C19H14IN5O2
SMILES
C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)I)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H
InChIKey
BWJJSYVJOLHQFF-UHFFFAOYSA-N
Compound name
N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

471.01923 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.02651 203.7
[M+Na]+ 494.00845 199.7
[M-H]- 470.01195 208.4
[M+NH4]+ 489.05305 209.8
[M+K]+ 509.98239 198.1
[M+H-H2O]+ 454.01649 192.1
[M+HCOO]- 516.01743 229.2
[M+CH3COO]- 530.03308 229.7
[M+Na-2H]- 491.99390 199.6
[M]+ 471.01868 198.5
[M]- 471.01978 198.5
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.