CID 177845478

Dtxsid501385264

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)C2=CC=CC=C2)NC(=O)N(C)C
InChI
InChI=1S/C18H22N4O2/c1-13-10-11-14(12-16(13)20-17(23)21(2)3)19-18(24)22(4)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,19,24)(H,20,23)
InChIKey
WFMSGCLTNJTNIR-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-[2-methyl-5-[[methyl(phenyl)carbamoyl]amino]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 179.9
[M+Na]+ 349.16352 183.4
[M-H]- 325.16702 189.2
[M+NH4]+ 344.20812 193.7
[M+K]+ 365.13746 182.9
[M+H-H2O]+ 309.17156 170.2
[M+HCOO]- 371.17250 206.7
[M+CH3COO]- 385.18815 224.9
[M+Na-2H]- 347.14897 182.0
[M]+ 326.17375 180.7
[M]- 326.17485 180.7
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.