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]+ 361.18703 185.8
[M+Na]+ 383.16897 193.1
[M-H]- 359.17247 190.7
[M+NH4]+ 378.21357 197.6
[M+K]+ 399.14291 190.0
[M+H-H2O]+ 343.17701 176.3
[M+HCOO]- 405.17795 209.2
[M+CH3COO]- 419.19360 221.6
[M+Na-2H]- 381.15442 185.9
[M]+ 360.17920 192.1
[M]- 360.18030 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.