CID 6328182

Ddug

Structural Information

Molecular Formula
C19H24N10O
SMILES
C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)/b26-11+,27-12+
InChIKey
HCAQGQIHBFVVIX-LYXAAFRTSA-N
Compound name
1,3-bis[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

9
Patents

408.21347 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22075 198.7
[M+Na]+ 431.20269 200.3
[M+NH4]+ 426.24729 201.1
[M+K]+ 447.17663 197.8
[M-H]- 407.20619 205.0
[M+Na-2H]- 429.18814 202.6
[M]+ 408.21292 199.4
[M]- 408.21402 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe