CID 430928

Schembl13327668

Structural Information

Molecular Formula
C15H19N5O2
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NCC2=CC=CC=C2)N)N
InChI
InChI=1S/C15H19N5O2/c1-2-22-15(21)20-12-8-11(13(16)14(17)19-12)18-9-10-6-4-3-5-7-10/h3-8H,2,9,16H2,1H3,(H4,17,18,19,20,21)
InChIKey
LGVYAAYUJFZXEN-UHFFFAOYSA-N
Compound name
ethyl N-[5,6-diamino-4-(benzylamino)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.15387 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16115 169.4
[M+Na]+ 324.14309 174.9
[M-H]- 300.14659 174.2
[M+NH4]+ 319.18769 181.5
[M+K]+ 340.11703 171.2
[M+H-H2O]+ 284.15113 159.8
[M+HCOO]- 346.15207 194.6
[M+CH3COO]- 360.16772 213.7
[M+Na-2H]- 322.12854 173.5
[M]+ 301.15332 167.1
[M]- 301.15442 167.1
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