CID 9574417

2,4,6-triisopropylbenzaldehyde, semicarbazone

Structural Information

Molecular Formula
C17H27N3O
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)/C=N/NC(=O)N)C(C)C
InChI
InChI=1S/C17H27N3O/c1-10(2)13-7-14(11(3)4)16(9-19-20-17(18)21)15(8-13)12(5)6/h7-12H,1-6H3,(H3,18,20,21)/b19-9+
InChIKey
WCBPZGAKHUGZFL-DJKKODMXSA-N
Compound name
[(E)-[2,4,6-tri(propan-2-yl)phenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 175.2
[M+Na]+ 312.20464 179.5
[M-H]- 288.20814 179.5
[M+NH4]+ 307.24924 190.8
[M+K]+ 328.17858 177.8
[M+H-H2O]+ 272.21268 167.7
[M+HCOO]- 334.21362 197.5
[M+CH3COO]- 348.22927 218.5
[M+Na-2H]- 310.19009 172.2
[M]+ 289.21487 175.0
[M]- 289.21597 175.0
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.