CID 6888765

634884-79-0

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H24N4O4/c1-11-14(12(2)21-20-11)6-7-17(23)22-19-10-13-8-15(24-3)18(26-5)16(9-13)25-4/h8-10H,6-7H2,1-5H3,(H,20,21)(H,22,23)/b19-10+
InChIKey
IGXHKZXDJMPNBN-VXLYETTFSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

360.17975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.187026 185.8
[M+Na]+ 383.168968 193.1
[M-H]- 359.172474 190.7
[M+NH4]+ 378.213573 197.6
[M+K]+ 399.142908 190.0
[M+H-H2O]+ 343.177010 176.3
[M+HCOO]- 405.177951 209.2
[M+CH3COO]- 419.193601 221.6
[M+Na-2H]- 381.154416 185.9
[M]+ 360.17920142 192.1
[M]- 360.18029858 192.1
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

No patent data available for this compound.