CID 3051346

Dl-1-(3-(m-bromoanilino)-2-hydroxypropyl)guanidine hemisulfate

Structural Information

Molecular Formula
C10H15BrN4O
SMILES
C1=CC(=CC(=C1)Br)NCC(CN=C(N)N)O
InChI
InChI=1S/C10H15BrN4O/c11-7-2-1-3-8(4-7)14-5-9(16)6-15-10(12)13/h1-4,9,14,16H,5-6H2,(H4,12,13,15)
InChIKey
MPXJFHBQVJAPSJ-UHFFFAOYSA-N
Compound name
2-[3-(3-bromoanilino)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0429 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05018 156.2
[M+Na]+ 309.03212 162.9
[M-H]- 285.03562 160.6
[M+NH4]+ 304.07672 173.1
[M+K]+ 325.00606 150.8
[M+H-H2O]+ 269.04016 152.4
[M+HCOO]- 331.04110 178.3
[M+CH3COO]- 345.05675 205.8
[M+Na-2H]- 307.01757 160.2
[M]+ 286.04235 169.2
[M]- 286.04345 169.2
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.