CID 9557100

402514-88-9

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC=CN3C
InChI
InChI=1S/C18H19N5O2/c1-3-25-17-9-5-4-7-13(17)12-19-22-18(24)15-11-14(20-21-15)16-8-6-10-23(16)2/h4-12H,3H2,1-2H3,(H,20,21)(H,22,24)/b19-12+
InChIKey
YWSFVNILVDNXES-XDHOZWIPSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 177.4
[M+Na]+ 360.14309 185.2
[M-H]- 336.14659 184.8
[M+NH4]+ 355.18769 189.8
[M+K]+ 376.11703 180.3
[M+H-H2O]+ 320.15113 166.9
[M+HCOO]- 382.15207 202.8
[M+CH3COO]- 396.16772 213.1
[M+Na-2H]- 358.12854 179.5
[M]+ 337.15332 180.4
[M]- 337.15442 180.4
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.