CID 487255

3-(4-hydrazino-4-oxo-butyl)-1h-indole-2-carbohydrazide

Structural Information

Molecular Formula
C13H17N5O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)NN)CCCC(=O)NN
InChI
InChI=1S/C13H17N5O2/c14-17-11(19)7-3-5-9-8-4-1-2-6-10(8)16-12(9)13(20)18-15/h1-2,4,6,16H,3,5,7,14-15H2,(H,17,19)(H,18,20)
InChIKey
KFIFHVZXLMBNKL-UHFFFAOYSA-N
Compound name
3-(4-hydrazinyl-4-oxobutyl)-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1382 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 159.4
[M+Na]+ 298.12742 165.2
[M-H]- 274.13092 161.0
[M+NH4]+ 293.17202 174.7
[M+K]+ 314.10136 161.3
[M+H-H2O]+ 258.13546 151.5
[M+HCOO]- 320.13640 183.6
[M+CH3COO]- 334.15205 205.7
[M+Na-2H]- 296.11287 163.2
[M]+ 275.13765 156.4
[M]- 275.13875 156.4
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.