CID 6872761

4-[(4-methylbenzyl)oxy]benzaldehyde semicarbazone

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)N
InChI
InChI=1S/C16H17N3O2/c1-12-2-4-14(5-3-12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)/b18-10+
InChIKey
OPAANKAECICUEG-VCHYOVAHSA-N
Compound name
[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.3
[M+Na]+ 306.12130 171.0
[M-H]- 282.12480 172.9
[M+NH4]+ 301.16590 180.4
[M+K]+ 322.09524 167.7
[M+H-H2O]+ 266.12934 156.4
[M+HCOO]- 328.13028 192.8
[M+CH3COO]- 342.14593 209.3
[M+Na-2H]- 304.10675 170.3
[M]+ 283.13153 165.3
[M]- 283.13263 165.3
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.