CID 6918714

Sk-7041

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)/C=C/C(=O)NO
InChI
InChI=1S/C19H21N3O3/c1-22(2)17-10-8-16(9-11-17)19(24)20-13-15-5-3-14(4-6-15)7-12-18(23)21-25/h3-12,25H,13H2,1-2H3,(H,20,24)(H,21,23)/b12-7+
InChIKey
WWMASNYTEATYTC-KPKJPENVSA-N
Compound name
4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

53
Patents

339.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 181.6
[M+Na]+ 362.147518 185.1
[M-H]- 338.151024 187.9
[M+NH4]+ 357.192123 193.6
[M+K]+ 378.121458 182.0
[M+H-H2O]+ 322.155560 172.4
[M+HCOO]- 384.156501 205.5
[M+CH3COO]- 398.172151 219.2
[M+Na-2H]- 360.132966 183.2
[M]+ 339.15775142 181.1
[M]- 339.15884858 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe