CID 24843879

Propiophenone, 3-(diethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCN(CC)CC/C(=N/NC(=O)NC1=CC=C(C=C1)OC)/C2=CC=CC=C2
InChI
InChI=1S/C21H28N4O2/c1-4-25(5-2)16-15-20(17-9-7-6-8-10-17)23-24-21(26)22-18-11-13-19(27-3)14-12-18/h6-14H,4-5,15-16H2,1-3H3,(H2,22,24,26)/b23-20-
InChIKey
XFJWXSMKCYZHDI-ATJXCDBQSA-N
Compound name
1-[(Z)-[3-(diethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 191.9
[M+Na]+ 391.21044 193.4
[M-H]- 367.21394 200.0
[M+NH4]+ 386.25504 203.6
[M+K]+ 407.18438 191.4
[M+H-H2O]+ 351.21848 181.2
[M+HCOO]- 413.21942 218.7
[M+CH3COO]- 427.23507 232.3
[M+Na-2H]- 389.19589 194.5
[M]+ 368.22067 193.9
[M]- 368.22177 193.9
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.