CID 6866568

403650-65-7

Structural Information

Molecular Formula
C21H23N5O
SMILES
CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C21H23N5O/c1-4-15-5-9-17(10-6-15)19-13-20(24-23-19)21(27)25-22-14-16-7-11-18(12-8-16)26(2)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,27)/b22-14+
InChIKey
ZSRDXZJCBDZKRC-HYARGMPZSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.19025 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19753 188.0
[M+Na]+ 384.17947 193.1
[M-H]- 360.18297 196.7
[M+NH4]+ 379.22407 199.0
[M+K]+ 400.15341 188.1
[M+H-H2O]+ 344.18751 176.7
[M+HCOO]- 406.18845 212.6
[M+CH3COO]- 420.20410 225.8
[M+Na-2H]- 382.16492 190.0
[M]+ 361.18970 188.3
[M]- 361.19080 188.3
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.