CID 86573619

1,3-bis[(e)-(2-amino-4-ethyl-5-hydroxy-phenyl)methyleneamino]urea; chlorochromium(2+)

Structural Information

Molecular Formula
C19H24N6O3
SMILES
CCC1=CC(=C(C=C1O)/C=N/NC(=O)N/N=C/C2=C(C=C(C(=C2)O)CC)N)N
InChI
InChI=1S/C19H24N6O3/c1-3-11-5-15(20)13(7-17(11)26)9-22-24-19(28)25-23-10-14-8-18(27)12(4-2)6-16(14)21/h5-10,26-27H,3-4,20-21H2,1-2H3,(H2,24,25,28)/b22-9+,23-10+
InChIKey
MUUKLJYMJUVYPA-HHAMRVRLSA-N
Compound name
1,3-bis[(E)-(2-amino-4-ethyl-5-hydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5468
References

0
Patents

384.19098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19826 192.8
[M+Na]+ 407.18020 197.9
[M-H]- 383.18370 199.3
[M+NH4]+ 402.22480 202.7
[M+K]+ 423.15414 194.2
[M+H-H2O]+ 367.18824 182.8
[M+HCOO]- 429.18918 219.9
[M+CH3COO]- 443.20483 237.9
[M+Na-2H]- 405.16565 193.1
[M]+ 384.19043 190.9
[M]- 384.19153 190.9
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

No patent data available for this compound.