CID 3298748

4-(2,6-diethylphenyl)-1-phenylsemicarbazide

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C17H21N3O/c1-3-13-9-8-10-14(4-2)16(13)18-17(21)20-19-15-11-6-5-7-12-15/h5-12,19H,3-4H2,1-2H3,(H2,18,20,21)
InChIKey
PZERCKKAAFVZQO-UHFFFAOYSA-N
Compound name
1-anilino-3-(2,6-diethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 167.5
[M+Na]+ 306.15768 172.1
[M-H]- 282.16118 173.9
[M+NH4]+ 301.20228 182.3
[M+K]+ 322.13162 168.0
[M+H-H2O]+ 266.16572 158.8
[M+HCOO]- 328.16666 193.3
[M+CH3COO]- 342.18231 209.1
[M+Na-2H]- 304.14313 172.4
[M]+ 283.16791 166.2
[M]- 283.16901 166.2
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.