CID 308358

Nsc209843

Structural Information

Molecular Formula
C19H26ClN7O3
SMILES
CN1C2=C(C=C(C=C2)Cl)C3(C1(C(=O)N(C3C(=O)NN)C4CCCCC4)N)C(=O)NN
InChI
InChI=1S/C19H26ClN7O3/c1-26-13-8-7-10(20)9-12(13)18(16(29)25-23)14(15(28)24-22)27(17(30)19(18,26)21)11-5-3-2-4-6-11/h7-9,11,14H,2-6,21-23H2,1H3,(H,24,28)(H,25,29)
InChIKey
UHFXUGLSEQJPDH-UHFFFAOYSA-N
Compound name
3a-amino-7-chloro-2-cyclohexyl-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indole-1,8b-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17856 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18584 194.6
[M+Na]+ 458.16778 200.3
[M-H]- 434.17128 199.2
[M+NH4]+ 453.21238 209.8
[M+K]+ 474.14172 195.7
[M+H-H2O]+ 418.17582 188.9
[M+HCOO]- 480.17676 206.5
[M+CH3COO]- 494.19241 239.3
[M+Na-2H]- 456.15323 193.9
[M]+ 435.17801 189.5
[M]- 435.17911 189.5
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.