CID 267802

21271-65-8

Structural Information

Molecular Formula
C15H20N6O4S
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NCC2=CC=C(C=C2)S(=O)(=O)N)N)N
InChI
InChI=1S/C15H20N6O4S/c1-2-25-15(22)21-12-7-11(13(16)14(17)20-12)19-8-9-3-5-10(6-4-9)26(18,23)24/h3-7H,2,8,16H2,1H3,(H2,18,23,24)(H4,17,19,20,21,22)
InChIKey
DGJJSEIWJHIVIE-UHFFFAOYSA-N
Compound name
ethyl N-[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.12668 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13396 184.0
[M+Na]+ 403.11590 189.3
[M-H]- 379.11940 188.1
[M+NH4]+ 398.16050 192.4
[M+K]+ 419.08984 184.8
[M+H-H2O]+ 363.12394 174.4
[M+HCOO]- 425.12488 202.9
[M+CH3COO]- 439.14053 227.7
[M+Na-2H]- 401.10135 186.6
[M]+ 380.12613 183.0
[M]- 380.12723 183.0
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