CID 267555

Urea, 1,1-bis(2-bromoethyl)-3-(1-naphthyl)-

Structural Information

Molecular Formula
C15H16Br2N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr
InChI
InChI=1S/C15H16Br2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,20)
InChIKey
HVUKGCFZISLAKF-UHFFFAOYSA-N
Compound name
1,1-bis(2-bromoethyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.96295 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.97023 168.8
[M+Na]+ 420.95217 176.0
[M-H]- 396.95567 175.9
[M+NH4]+ 415.99677 184.9
[M+K]+ 436.92611 160.3
[M+H-H2O]+ 380.96021 174.2
[M+HCOO]- 442.96115 184.5
[M+CH3COO]- 456.97680 222.8
[M+Na-2H]- 418.93762 174.6
[M]+ 397.96240 202.8
[M]- 397.96350 202.8
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.