CID 3077075

133381-52-9

Structural Information

Molecular Formula
C34H31N5O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=C(C=C6)N(C)C
InChI
InChI=1S/C34H31N5O/c1-23(40)39-33(24-17-19-26(20-18-24)38(2)3)21-32(37-39)28-14-8-9-15-30(28)35-22-29-27-13-7-10-16-31(27)36-34(29)25-11-5-4-6-12-25/h4-20,22,33,36H,21H2,1-3H3
InChIKey
APRHEBFTXNDHPH-UHFFFAOYSA-N
Compound name
1-[3-[4-(dimethylamino)phenyl]-5-[2-[(2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.25287 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.26015 232.0
[M+Na]+ 548.24209 248.5
[M+NH4]+ 543.28669 238.7
[M+K]+ 564.21603 241.8
[M-H]- 524.24559 242.7
[M+Na-2H]- 546.22754 243.7
[M]+ 525.25232 237.5
[M]- 525.25342 237.5
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.