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]+ 344.175736 183.8
[M+Na]+ 366.157678 188.3
[M-H]- 342.161184 192.8
[M+NH4]+ 361.202283 195.3
[M+K]+ 382.131618 182.3
[M+H-H2O]+ 326.165720 173.9
[M+HCOO]- 388.166661 207.7
[M+CH3COO]- 402.182311 221.6
[M+Na-2H]- 364.143126 185.9
[M]+ 343.16791142 179.9
[M]- 343.16900858 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