CID 3052305

Urea, n-(2,6-dimethylphenyl)-n'-(4,5,6,7-tetrahydro-1-methyl-1h-1,3-diazepin-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C15H22N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCCCN2C
InChI
InChI=1S/C15H22N4O/c1-11-7-6-8-12(2)13(11)17-15(20)18-14-16-9-4-5-10-19(14)3/h6-8H,4-5,9-10H2,1-3H3,(H2,16,17,18,20)
InChIKey
YPGGGMAJSLSCDU-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.17935 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 165.9
[M+Na]+ 297.16857 170.0
[M-H]- 273.17207 170.9
[M+NH4]+ 292.21317 178.2
[M+K]+ 313.14251 171.9
[M+H-H2O]+ 257.17661 156.2
[M+HCOO]- 319.17755 185.3
[M+CH3COO]- 333.19320 204.9
[M+Na-2H]- 295.15402 168.6
[M]+ 274.17880 160.3
[M]- 274.17990 160.3
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.