CID 4477132

3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C16H15N5O3S
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,20,22H,(H4,17,18,21)
InChIKey
UHCCZPSJWZLRKI-UHFFFAOYSA-N
Compound name
2-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

357.08957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09685 178.0
[M+Na]+ 380.07879 186.1
[M-H]- 356.08229 184.4
[M+NH4]+ 375.12339 191.0
[M+K]+ 396.05273 180.2
[M+H-H2O]+ 340.08683 170.1
[M+HCOO]- 402.08777 198.7
[M+CH3COO]- 416.10342 218.1
[M+Na-2H]- 378.06424 183.2
[M]+ 357.08902 178.4
[M]- 357.09012 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

literature stripe

Patent stripe

patents stripe