CID 162705327

Amp-4en-pinaca

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCC(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCC=C
InChI
InChI=1S/C17H22N4O2/c1-3-5-8-11-21-14-10-7-6-9-12(14)15(20-21)17(23)19-13(4-2)16(18)22/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,18,22)(H,19,23)
InChIKey
SHELRBQJCJWWQC-UHFFFAOYSA-N
Compound name
N-(1-amino-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.6
[M+Na]+ 337.16352 182.7
[M-H]- 313.16702 178.0
[M+NH4]+ 332.20812 190.4
[M+K]+ 353.13746 178.4
[M+H-H2O]+ 297.17156 167.9
[M+HCOO]- 359.17250 197.3
[M+CH3COO]- 373.18815 213.1
[M+Na-2H]- 335.14897 177.3
[M]+ 314.17375 178.4
[M]- 314.17485 178.4
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.