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]+ 284.175736 167.5
[M+Na]+ 306.157678 172.1
[M-H]- 282.161184 173.9
[M+NH4]+ 301.202283 182.3
[M+K]+ 322.131618 168.0
[M+H-H2O]+ 266.165720 158.8
[M+HCOO]- 328.166661 193.3
[M+CH3COO]- 342.182311 209.1
[M+Na-2H]- 304.143126 172.4
[M]+ 283.16791142 166.2
[M]- 283.16900858 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.