CID 24855751

Schembl1179636

Structural Information

Molecular Formula
C18H25N5O3S
SMILES
CCC1CN(N=C1)C(=NCC)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C
InChI
InChI=1S/C18H25N5O3S/c1-4-14-11-20-23(12-14)18(19-5-2)21-27(25,26)16-6-7-17-15(10-16)8-9-22(17)13(3)24/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3,(H,19,21)
InChIKey
OOZDUCWFFHOFDS-UHFFFAOYSA-N
Compound name
N-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

391.16782 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17510 194.7
[M+Na]+ 414.15704 201.0
[M-H]- 390.16054 200.3
[M+NH4]+ 409.20164 207.6
[M+K]+ 430.13098 197.7
[M+H-H2O]+ 374.16508 187.0
[M+HCOO]- 436.16602 208.8
[M+CH3COO]- 450.18167 222.4
[M+Na-2H]- 412.14249 193.2
[M]+ 391.16727 198.1
[M]- 391.16837 198.1
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

patents stripe