CID 9601217

(2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide

Structural Information

Molecular Formula
C18H19N5O2
SMILES
C[C@@H](C1=CC=C(C=C1)N2CCNC2=O)C(=O)N=C3C=C(N=N3)C4CC4
InChI
InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)/t11-/m0/s1
InChIKey
JPAWNIKVRIVDBT-NSHDSACASA-N
Compound name
(2S)-N-(5-cyclopropylpyrazol-3-ylidene)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.15387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 184.2
[M+Na]+ 360.14309 191.8
[M-H]- 336.14659 192.4
[M+NH4]+ 355.18769 190.4
[M+K]+ 376.11703 185.1
[M+H-H2O]+ 320.15113 174.3
[M+HCOO]- 382.15207 202.6
[M+CH3COO]- 396.16772 193.0
[M+Na-2H]- 358.12854 181.1
[M]+ 337.15332 183.8
[M]- 337.15442 183.8
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

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