CID 214924

N,n'-dimethyl-n,n'-bis(4-nitrophenyl)urea

Structural Information

Molecular Formula
C15H14N4O5
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O5/c1-16(11-3-7-13(8-4-11)18(21)22)15(20)17(2)12-5-9-14(10-6-12)19(23)24/h3-10H,1-2H3
InChIKey
FDJGIYFXRLDEJB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-bis(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

330.0964 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.103676 172.6
[M+Na]+ 353.085618 175.1
[M-H]- 329.089124 181.3
[M+NH4]+ 348.130223 184.0
[M+K]+ 369.059558 167.1
[M+H-H2O]+ 313.093660 172.1
[M+HCOO]- 375.094601 199.7
[M+CH3COO]- 389.110251 207.3
[M+Na-2H]- 351.071066 179.2
[M]+ 330.09585142 170.5
[M]- 330.09694858 170.5
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