CID 135429745

136196-46-8

Structural Information

Molecular Formula
C19H14IN5O2
SMILES
C1=CC=C(C=C1)/C(=N/NC2=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/b23-19-,24-22?
InChIKey
BWJJSYVJOLHQFF-AMLDTQNSSA-N
Compound name
N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
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

literature stripe

Patent stripe

patents stripe