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
1
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]+ 315.181576 176.6
[M+Na]+ 337.163518 182.7
[M-H]- 313.167024 178.0
[M+NH4]+ 332.208123 190.4
[M+K]+ 353.137458 178.4
[M+H-H2O]+ 297.171560 167.9
[M+HCOO]- 359.172501 197.3
[M+CH3COO]- 373.188151 213.1
[M+Na-2H]- 335.148966 177.3
[M]+ 314.17375142 178.4
[M]- 314.17484858 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.