CID 41016

54121-10-7

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CCOC(=O)NNC1=NN=C(C=C1)N(CC=C)CC=C
InChI
InChI=1S/C13H19N5O2/c1-4-9-18(10-5-2)12-8-7-11(14-16-12)15-17-13(19)20-6-3/h4-5,7-8H,1-2,6,9-10H2,3H3,(H,14,15)(H,17,19)
InChIKey
ZCRHWTBMIUOAIC-UHFFFAOYSA-N
Compound name
ethyl N-[[6-[bis(prop-2-enyl)amino]pyridazin-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.161146 165.4
[M+Na]+ 300.143088 170.2
[M-H]- 276.146594 167.2
[M+NH4]+ 295.187693 178.3
[M+K]+ 316.117028 168.0
[M+H-H2O]+ 260.151130 155.8
[M+HCOO]- 322.152071 189.7
[M+CH3COO]- 336.167721 209.4
[M+Na-2H]- 298.128536 170.2
[M]+ 277.15332142 167.1
[M]- 277.15441858 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