CID 6866068

1393587-68-2

Structural Information

Molecular Formula
C19H17ClN4O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C19H17ClN4O3/c1-26-17-8-3-12(9-18(17)27-2)11-21-24-19(25)16-10-15(22-23-16)13-4-6-14(20)7-5-13/h3-11H,1-2H3,(H,22,23)(H,24,25)/b21-11+
InChIKey
NKECWCMPZSQSAV-SRZZPIQSSA-N
Compound name
3-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.0989 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10618 189.1
[M+Na]+ 407.08812 197.2
[M-H]- 383.09162 196.9
[M+NH4]+ 402.13272 199.9
[M+K]+ 423.06206 191.0
[M+H-H2O]+ 367.09616 178.9
[M+HCOO]- 429.09710 208.6
[M+CH3COO]- 443.11275 220.6
[M+Na-2H]- 405.07357 191.0
[M]+ 384.09835 193.6
[M]- 384.09945 193.6
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.