CID 11338033

At7519

Structural Information

Molecular Formula
C16H17Cl2N5O2
SMILES
C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKey
OVPNQJVDAFNBDN-UHFFFAOYSA-N
Compound name
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

64
References

1719
Patents

381.07593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08321 184.5
[M+Na]+ 404.06515 189.3
[M-H]- 380.06865 186.6
[M+NH4]+ 399.10975 192.8
[M+K]+ 420.03909 181.7
[M+H-H2O]+ 364.07319 175.1
[M+HCOO]- 426.07413 190.3
[M+CH3COO]- 440.08978 191.2
[M+Na-2H]- 402.05060 183.3
[M]+ 381.07538 179.7
[M]- 381.07648 179.7
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

patents stripe