CID 5277690

Ethyl n-[5,6-diamino-4-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-pyridyl]carbamate

Structural Information

Molecular Formula
C19H28N6O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=CC(=NC(=C2N)N)NC(=O)OCC
InChI
InChI=1S/C19H28N6O4S/c1-4-25(5-2)30(27,28)14-9-7-13(8-10-14)12-22-15-11-16(23-18(21)17(15)20)24-19(26)29-6-3/h7-11H,4-6,12,20H2,1-3H3,(H4,21,22,23,24,26)
InChIKey
XYEFWYYLDNLRML-UHFFFAOYSA-N
Compound name
ethyl N-[5,6-diamino-4-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.18927 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19655 201.6
[M+Na]+ 459.17849 205.2
[M-H]- 435.18199 207.0
[M+NH4]+ 454.22309 208.7
[M+K]+ 475.15243 201.8
[M+H-H2O]+ 419.18653 191.1
[M+HCOO]- 481.18747 220.3
[M+CH3COO]- 495.20312 242.6
[M+Na-2H]- 457.16394 202.9
[M]+ 436.18872 204.2
[M]- 436.18982 204.2
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.