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

2
Patents

277.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 165.4
[M+Na]+ 300.14309 170.2
[M-H]- 276.14659 167.2
[M+NH4]+ 295.18769 178.3
[M+K]+ 316.11703 168.0
[M+H-H2O]+ 260.15113 155.8
[M+HCOO]- 322.15207 189.7
[M+CH3COO]- 336.16772 209.4
[M+Na-2H]- 298.12854 170.2
[M]+ 277.15332 167.1
[M]- 277.15442 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