CID 135770473

Hydrazinecarboxamide, n-(4-butoxyphenyl)-2-(1h-pyrrol-2-ylmethylene)-

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C16H20N4O2/c1-2-3-11-22-15-8-6-13(7-9-15)19-16(21)20-18-12-14-5-4-10-17-14/h4-10,12,17H,2-3,11H2,1H3,(H2,19,20,21)/b18-12+
InChIKey
ZCLIWOUEXQWBTP-LDADJPATSA-N
Compound name
1-(4-butoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.165906 169.1
[M+Na]+ 323.147848 173.1
[M-H]- 299.151354 174.1
[M+NH4]+ 318.192453 183.3
[M+K]+ 339.121788 169.3
[M+H-H2O]+ 283.155890 159.5
[M+HCOO]- 345.156831 195.2
[M+CH3COO]- 359.172481 208.1
[M+Na-2H]- 321.133296 173.4
[M]+ 300.15808142 168.9
[M]- 300.15917858 168.9
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.