CID 207829

Perimidine, 2-amino-1-benzyl-

Structural Information

Molecular Formula
C18H15N3
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC4=C3C(=CC=C4)N=C2N
InChI
InChI=1S/C18H15N3/c19-18-20-15-10-4-8-14-9-5-11-16(17(14)15)21(18)12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20)
InChIKey
QMDLNNOWFKQXTH-UHFFFAOYSA-N
Compound name
1-benzylperimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.1266 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13388 164.0
[M+Na]+ 296.11582 172.5
[M-H]- 272.11932 168.4
[M+NH4]+ 291.16042 179.0
[M+K]+ 312.08976 165.5
[M+H-H2O]+ 256.12386 153.7
[M+HCOO]- 318.12480 182.7
[M+CH3COO]- 332.14045 174.7
[M+Na-2H]- 294.10127 172.9
[M]+ 273.12605 162.7
[M]- 273.12715 162.7
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

patents stripe