CID 72737267

Amidine compound 1

Structural Information

Molecular Formula
C22H21N3O
SMILES
CC1=C(C=CC=C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3
InChI
InChI=1S/C22H21N3O/c1-15-19(17-6-3-2-4-7-17)8-5-9-20(15)22(26)25-14-16-10-12-18(13-11-16)21(23)24/h2-13H,14H2,1H3,(H3,23,24)(H,25,26)
InChIKey
RNDNSLVKMYCGOO-UHFFFAOYSA-N
Compound name
N-[(4-carbamimidoylphenyl)methyl]-2-methyl-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 183.8
[M+Na]+ 366.15768 188.3
[M-H]- 342.16118 192.8
[M+NH4]+ 361.20228 195.3
[M+K]+ 382.13162 182.3
[M+H-H2O]+ 326.16572 173.9
[M+HCOO]- 388.16666 207.7
[M+CH3COO]- 402.18231 221.6
[M+Na-2H]- 364.14313 185.9
[M]+ 343.16791 179.9
[M]- 343.16901 179.9
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