CID 9578676

37402-19-0

Structural Information

Molecular Formula
C17H26N6O3
SMILES
C/C(=N\N=C(N)N)/CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C
InChI
InChI=1S/C17H26N6O3/c1-3-9-17(10-11(2)21-22-15(18)19)13(24)20-16(26)23(14(17)25)12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H4,18,19,22)(H,20,24,26)/b21-11+
InChIKey
PNHCDWRDONHTKM-SRZZPIQSSA-N
Compound name
2-[(E)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20663 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21391 185.2
[M+Na]+ 385.19585 187.2
[M-H]- 361.19935 188.0
[M+NH4]+ 380.24045 195.4
[M+K]+ 401.16979 183.9
[M+H-H2O]+ 345.20389 176.3
[M+HCOO]- 407.20483 201.3
[M+CH3COO]- 421.22048 227.7
[M+Na-2H]- 383.18130 183.1
[M]+ 362.20608 175.7
[M]- 362.20718 175.7
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.