CID 4982683

307941-90-8

Structural Information

Molecular Formula
C16H13IN2O
SMILES
C1=CC=C(C=C1)C=CC=NNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C16H13IN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)
InChIKey
CLJILHWHHBQZJG-UHFFFAOYSA-N
Compound name
N-(cinnamylideneamino)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.00726 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.01454 175.5
[M+Na]+ 398.99648 174.1
[M-H]- 374.99998 175.4
[M+NH4]+ 394.04108 186.5
[M+K]+ 414.97042 175.4
[M+H-H2O]+ 359.00452 163.0
[M+HCOO]- 421.00546 196.6
[M+CH3COO]- 435.02111 210.0
[M+Na-2H]- 396.98193 168.7
[M]+ 376.00671 171.7
[M]- 376.00781 171.7
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.