CID 135417397

2-benzylamino-1-methyl perimidine

Structural Information

Molecular Formula
C19H17N3
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)NC1=NCC4=CC=CC=C4
InChI
InChI=1S/C19H17N3/c1-22-17-12-6-10-15-9-5-11-16(18(15)17)21-19(22)20-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKey
SVEXDQMRDVZPHR-UHFFFAOYSA-N
Compound name
N-benzyl-3-methyl-1H-perimidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14224 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 167.9
[M+Na]+ 310.13146 175.2
[M-H]- 286.13496 172.3
[M+NH4]+ 305.17606 182.5
[M+K]+ 326.10540 168.0
[M+H-H2O]+ 270.13950 157.4
[M+HCOO]- 332.14044 185.7
[M+CH3COO]- 346.15609 178.0
[M+Na-2H]- 308.11691 176.2
[M]+ 287.14169 165.7
[M]- 287.14279 165.7
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.